3-[(2-benzamidoacetyl)amino]thiophene-2-carboxylic acid

C14H12N2O4S — CID 1483135

IUPAC3-[(2-benzamidoacetyl)amino]thiophene-2-carboxylic acid
SMILESO=C(CNC(=O)c1ccccc1)Nc1ccsc1C(=O)O
InChIInChI=1S/C14H12N2O4S/c17-11(16-10-6-7-21-12(10)14(19)20)8-15-13(18)9-4-2-1-3-5-9/h1-7H,8H2,(H,15,18)(H,16,17)(H,19,20)
InChIKeyDHBBYYHDVMMOPB-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.81
Rot. Bonds5

About 3-[(2-benzamidoacetyl)amino]thiophene-2-carboxylic acid

3-[(2-benzamidoacetyl)amino]thiophene-2-carboxylic acid (PubChem CID 1483135) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is 3-[(2-benzamidoacetyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-benzamidoacetyl)amino]thiophene-2-carboxylic acid
PubChem CID1483135
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Name3-[(2-benzamidoacetyl)amino]thiophene-2-carboxylic acid
SMILESO=C(CNC(=O)c1ccccc1)Nc1ccsc1C(=O)O
InChIInChI=1S/C14H12N2O4S/c17-11(16-10-6-7-21-12(10)14(19)20)8-15-13(18)9-4-2-1-3-5-9/h1-7H,8H2,(H,15,18)(H,16,17)(H,19,20)
InChIKeyDHBBYYHDVMMOPB-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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Frequently Asked Questions

What is the IUPAC name of 3-[(2-benzamidoacetyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(2-benzamidoacetyl)amino]thiophene-2-carboxylic acid (CID 1483135) is 3-[(2-benzamidoacetyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2-benzamidoacetyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2-benzamidoacetyl)amino]thiophene-2-carboxylic acid is O=C(CNC(=O)c1ccccc1)Nc1ccsc1C(=O)O.
What is the InChIKey of 3-[(2-benzamidoacetyl)amino]thiophene-2-carboxylic acid?
The InChIKey is DHBBYYHDVMMOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c17-11(16-10-6-7-21-12(10)14(19)20)8-15-13(18)9-4-2-1-3-5-9/h1-7H,8H2,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 3-[(2-benzamidoacetyl)amino]thiophene-2-carboxylic acid?
3-[(2-benzamidoacetyl)amino]thiophene-2-carboxylic 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 3-[(2-benzamidoacetyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 1483135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).