2-amino-5-(benzamidomethyl)thiophene-3-carboxylic acid

C13H12N2O3S — CID 84750723

IUPAC2-amino-5-(benzamidomethyl)thiophene-3-carboxylic acid
SMILESNc1sc(CNC(=O)c2ccccc2)cc1C(=O)O
InChIInChI=1S/C13H12N2O3S/c14-11-10(13(17)18)6-9(19-11)7-15-12(16)8-4-2-1-3-5-8/h1-6H,7,14H2,(H,15,16)(H,17,18)
InChIKeyFFIAQFGXPLUGIP-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.96
Rot. Bonds4

About 2-amino-5-(benzamidomethyl)thiophene-3-carboxylic acid

2-amino-5-(benzamidomethyl)thiophene-3-carboxylic acid (PubChem CID 84750723) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-amino-5-(benzamidomethyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-(benzamidomethyl)thiophene-3-carboxylic acid
PubChem CID84750723
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name2-amino-5-(benzamidomethyl)thiophene-3-carboxylic acid
SMILESNc1sc(CNC(=O)c2ccccc2)cc1C(=O)O
InChIInChI=1S/C13H12N2O3S/c14-11-10(13(17)18)6-9(19-11)7-15-12(16)8-4-2-1-3-5-8/h1-6H,7,14H2,(H,15,16)(H,17,18)
InChIKeyFFIAQFGXPLUGIP-UHFFFAOYSA-N
XLogP1.96
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-acetylthiophen-2-yl)methyl]benzamide
CID 102052136
4-(benzamidomethyl)benzoic acid
CID 10879683
3-(benzamidomethyl)-5-bromo-2-hydroxybenzoic acid
CID 6610599
3-(benzamidomethyl)-2-fluorobenzoic acid
CID 175493024
N-[(4,5-dimethylthiophen-2-yl)methyl]-4-hydrazinylbenzamide
CID 65245855
2-[4-(benzamidomethyl)phenyl]acetic acid
CID 89464611
N-[[5-(benzamidomethyl)-2,4-dimethylphenyl]methyl]benzamide
CID 154149793
3-[[(4-aminobenzoyl)amino]methyl]benzoic acid
CID 61162089
3-(benzamidomethyl)benzoic acid;ethane
CID 90875099
N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17440789
6-(benzamidomethyl)-1-benzothiophene-2-carboxylic acid
CID 68864110
N-[[5-(phenylsulfamoyl)thiophen-2-yl]methyl]benzamide
CID 2823706

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(benzamidomethyl)thiophene-3-carboxylic acid?
The IUPAC name of 2-amino-5-(benzamidomethyl)thiophene-3-carboxylic acid (CID 84750723) is 2-amino-5-(benzamidomethyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-amino-5-(benzamidomethyl)thiophene-3-carboxylic acid?
The canonical SMILES for 2-amino-5-(benzamidomethyl)thiophene-3-carboxylic acid is Nc1sc(CNC(=O)c2ccccc2)cc1C(=O)O.
What is the InChIKey of 2-amino-5-(benzamidomethyl)thiophene-3-carboxylic acid?
The InChIKey is FFIAQFGXPLUGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c14-11-10(13(17)18)6-9(19-11)7-15-12(16)8-4-2-1-3-5-8/h1-6H,7,14H2,(H,15,16)(H,17,18).
What are the key properties of 2-amino-5-(benzamidomethyl)thiophene-3-carboxylic acid?
2-amino-5-(benzamidomethyl)thiophene-3-carboxylic acid has a molecular weight of 276.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(benzamidomethyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 84750723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).