Home Carboxys 5-[({[1-(thiophen-2-yl)ethyl]carbamoyl}amino)methyl]furan-2-carboxylic acid

5-[({[1-(thiophen-2-yl)ethyl]carbamoyl}amino)methyl]furan-2-carboxylic acid

CAS No.:
1536284-55-5
Catalog Number:
AG01EKJ1
Molecular Formula:
C13H14N2O4S
Molecular Weight:
294.3263
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Product Description
Catalog Number:
AG01EKJ1
Chemical Name:
5-[({[1-(thiophen-2-yl)ethyl]carbamoyl}amino)methyl]furan-2-carboxylic acid
CAS Number:
1536284-55-5
Molecular Formula:
C13H14N2O4S
Molecular Weight:
294.3263
MDL Number:
MFCD31559613
IUPAC Name:
5-[(1-thiophen-2-ylethylcarbamoylamino)methyl]furan-2-carboxylic acid
InChI:
InChI=1S/C13H14N2O4S/c1-8(11-3-2-6-20-11)15-13(18)14-7-9-4-5-10(19-9)12(16)17/h2-6,8H,7H2,1H3,(H,16,17)(H2,14,15,18)
InChI Key:
YFSMQBUTIJVPSM-UHFFFAOYSA-N
SMILES:
O=C(NC(c1cccs1)C)NCc1ccc(o1)C(=O)O
Properties
Complexity:
366  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.067g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
294.325g/mol
Monoisotopic Mass:
294.067g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties