2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid

C14H12N2O4S — CID 2731835

IUPAC2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C14H12N2O4S/c17-12(18)8-15-13(19)9-3-5-10(6-4-9)16-14(20)11-2-1-7-21-11/h1-7H,8H2,(H,15,19)(H,16,20)(H,17,18)
InChIKeyFDTUOGWJIOBAGT-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.81
Rot. Bonds5

About 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid

2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid (PubChem CID 2731835) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid
PubChem CID2731835
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Name2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C14H12N2O4S/c17-12(18)8-15-13(19)9-3-5-10(6-4-9)16-14(20)11-2-1-7-21-11/h1-7H,8H2,(H,15,19)(H,16,20)(H,17,18)
InChIKeyFDTUOGWJIOBAGT-UHFFFAOYSA-N
XLogP1.81
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
benzyl 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetate
CID 27711279
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
N-[4-(2-phenylsulfanylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 9483103
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
5-[[4-(thiophene-2-carbonylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid
CID 17296915
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-[4-[(2-hydroxy-2,3-dimethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 111483718
N-[2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062754
N-[4-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 120946017
N-[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 42122098
N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64792647

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid (CID 2731835) is 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid?
The InChIKey is FDTUOGWJIOBAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c17-12(18)8-15-13(19)9-3-5-10(6-4-9)16-14(20)11-2-1-7-21-11/h1-7H,8H2,(H,15,19)(H,16,20)(H,17,18).
What are the key properties of 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid?
2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid has a molecular weight of 304.33 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid is sourced from PubChem (CID 2731835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).