3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide

C14H9ClN2OS — CID 1080677

IUPAC3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccncc1)c1sc2ccccc2c1Cl
InChIInChI=1S/C14H9ClN2OS/c15-12-10-3-1-2-4-11(10)19-13(12)14(18)17-9-5-7-16-8-6-9/h1-8H,(H,16,17,18)
InChIKeyVRCFEDBVJWWFKZ-UHFFFAOYSA-N
MW288.76 g/mol
LogP4.20
Rot. Bonds2

About 3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide

3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide (PubChem CID 1080677) has the molecular formula C14H9ClN2OS and a molecular weight of 288.76 g/mol. Its IUPAC name is 3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide
PubChem CID1080677
Molecular FormulaC14H9ClN2OS
Molecular Weight288.76 g/mol
Exact Mass288.01
IUPAC Name3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccncc1)c1sc2ccccc2c1Cl
InChIInChI=1S/C14H9ClN2OS/c15-12-10-3-1-2-4-11(10)19-13(12)14(18)17-9-5-7-16-8-6-9/h1-8H,(H,16,17,18)
InChIKeyVRCFEDBVJWWFKZ-UHFFFAOYSA-N
XLogP4.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide 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

Sag1.3
CID 5284330
3-Chloro-4,7-Difluoro-N-[trans-4-(Methylamino)cyclohexyl]-N-[3-(Pyridin-4-Yl)benzyl]-1-Benzothiophene-2-Carboxamide
CID 44195701
5-(4-Chlorophenyl)-13-(dimethylamino)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 16118680
N-(4-chlorophenyl)-5-(2-pyridinyl)-2-thiophenecarboxamide
CID 2819703
3-chloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 673385
3-chloro-N-(pyridin-2-yl)-1-benzothiophene-2-carboxamide
CID 805019
3-chloro-6-methyl-N-(3-pyridinyl)-1-benzothiophene-2-carboxamide
CID 841647
4-(5-{[(2-Chloropyridin-4-Yl)methyl]carbamoyl}thiophen-2-Yl)-1-Benzothiophene-2-Carboxamide
CID 71664582
3-chloro-4-fluoro-N-pyridin-2-yl-1-benzothiophene-2-carboxamide
CID 1244206
N-(2-chlorophenyl)-5-(2-pyridinyl)-2-thiophenecarboxamide
CID 2819705
3-chloro-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 4557860
3-chloro-6-methyl-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 832043

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide (CID 1080677) is 3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide is O=C(Nc1ccncc1)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide?
The InChIKey is VRCFEDBVJWWFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2OS/c15-12-10-3-1-2-4-11(10)19-13(12)14(18)17-9-5-7-16-8-6-9/h1-8H,(H,16,17,18).
What are the key properties of 3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide?
3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide has a molecular weight of 288.76 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 1080677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).