5-(1-benzothiophene-2-carbonylamino)-3-methylthiophene-2-carboxylic acid

C15H11NO3S2 — CID 43356641

IUPAC5-(1-benzothiophene-2-carbonylamino)-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2cc3ccccc3s2)sc1C(=O)O
InChIInChI=1S/C15H11NO3S2/c1-8-6-12(21-13(8)15(18)19)16-14(17)11-7-9-4-2-3-5-10(9)20-11/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyRYASOQUZRVDSAW-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.22
Rot. Bonds3

About 5-(1-benzothiophene-2-carbonylamino)-3-methylthiophene-2-carboxylic acid

5-(1-benzothiophene-2-carbonylamino)-3-methylthiophene-2-carboxylic acid (PubChem CID 43356641) has the molecular formula C15H11NO3S2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-(1-benzothiophene-2-carbonylamino)-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-benzothiophene-2-carbonylamino)-3-methylthiophene-2-carboxylic acid
PubChem CID43356641
Molecular FormulaC15H11NO3S2
Molecular Weight317.39 g/mol
Exact Mass317.02
IUPAC Name5-(1-benzothiophene-2-carbonylamino)-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2cc3ccccc3s2)sc1C(=O)O
InChIInChI=1S/C15H11NO3S2/c1-8-6-12(21-13(8)15(18)19)16-14(17)11-7-9-4-2-3-5-10(9)20-11/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyRYASOQUZRVDSAW-UHFFFAOYSA-N
XLogP4.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(1-benzothiophene-2-carbonylamino)-3-methylthiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 27844987
5-[(2,6-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 28550112
N-(4-bromo-2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 60793818
5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
CID 43356570
5-[(3-hydroxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16778237
3-methyl-5-[(5-methyl-4-propylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 43356574
N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 51250610
(1-benzothiophene-2-carbonylamino)urea
CID 57488392
5-[(3-hydroxy-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16771317
N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 35029727
N-(4-aminophenyl)-1-benzothiophene-2-carboxamide
CID 22612941
3-methyl-5-(thiadiazole-4-carbonylamino)thiophene-2-carboxylic acid
CID 65214815

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophene-2-carbonylamino)-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-(1-benzothiophene-2-carbonylamino)-3-methylthiophene-2-carboxylic acid (CID 43356641) is 5-(1-benzothiophene-2-carbonylamino)-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(1-benzothiophene-2-carbonylamino)-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(1-benzothiophene-2-carbonylamino)-3-methylthiophene-2-carboxylic acid is Cc1cc(NC(=O)c2cc3ccccc3s2)sc1C(=O)O.
What is the InChIKey of 5-(1-benzothiophene-2-carbonylamino)-3-methylthiophene-2-carboxylic acid?
The InChIKey is RYASOQUZRVDSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S2/c1-8-6-12(21-13(8)15(18)19)16-14(17)11-7-9-4-2-3-5-10(9)20-11/h2-7H,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-(1-benzothiophene-2-carbonylamino)-3-methylthiophene-2-carboxylic acid?
5-(1-benzothiophene-2-carbonylamino)-3-methylthiophene-2-carboxylic acid has a molecular weight of 317.39 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophene-2-carbonylamino)-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 43356641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).