N-(2-cyanophenyl)-1-benzothiophene-3-carboxamide

C16H10N2OS — CID 6468576

IUPACN-(2-cyanophenyl)-1-benzothiophene-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1csc2ccccc12
InChIInChI=1S/C16H10N2OS/c17-9-11-5-1-3-7-14(11)18-16(19)13-10-20-15-8-4-2-6-12(13)15/h1-8,10H,(H,18,19)
InChIKeyBXMNOQMRAMAQGH-UHFFFAOYSA-N
MW278.34 g/mol
LogP4.03
Rot. Bonds2

About N-(2-cyanophenyl)-1-benzothiophene-3-carboxamide

N-(2-cyanophenyl)-1-benzothiophene-3-carboxamide (PubChem CID 6468576) has the molecular formula C16H10N2OS and a molecular weight of 278.34 g/mol. Its IUPAC name is N-(2-cyanophenyl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-1-benzothiophene-3-carboxamide
PubChem CID6468576
Molecular FormulaC16H10N2OS
Molecular Weight278.34 g/mol
Exact Mass278.05
IUPAC NameN-(2-cyanophenyl)-1-benzothiophene-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1csc2ccccc12
InChIInChI=1S/C16H10N2OS/c17-9-11-5-1-3-7-14(11)18-16(19)13-10-20-15-8-4-2-6-12(13)15/h1-8,10H,(H,18,19)
InChIKeyBXMNOQMRAMAQGH-UHFFFAOYSA-N
XLogP4.03
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetylphenyl)-1-benzothiophene-3-carboxamide
CID 60704804
N-(4-chloro-3-cyanophenyl)-1-benzothiophene-3-carboxamide
CID 112805668
N-(2-chloro-4-cyanophenyl)-1-benzothiophene-3-carboxamide
CID 103811101
N-(2-cyanophenyl)-4-ethyl-5-methylthiophene-3-carboxamide
CID 6468804
3-bromo-N-(2-cyanophenyl)thiophene-2-carboxamide
CID 63172712
N-(2,5-dichloro-4-methylphenyl)-1-benzothiophene-3-carboxamide
CID 66596334
N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide
CID 63024235
N-(2-cyanophenyl)-2-(trifluoromethyl)benzamide
CID 24695576
N-(2-cyanophenyl)-2-(propan-2-ylamino)benzamide
CID 63107973
N-(2-cyanophenyl)-2,5-dihydroxybenzamide
CID 107721971
N-(2-cyanophenyl)thiadiazole-4-carboxamide
CID 65214777
(2-cyanophenyl)urea
CID 13155570

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-1-benzothiophene-3-carboxamide (CID 6468576) is N-(2-cyanophenyl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-1-benzothiophene-3-carboxamide is N#Cc1ccccc1NC(=O)c1csc2ccccc12.
What is the InChIKey of N-(2-cyanophenyl)-1-benzothiophene-3-carboxamide?
The InChIKey is BXMNOQMRAMAQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2OS/c17-9-11-5-1-3-7-14(11)18-16(19)13-10-20-15-8-4-2-6-12(13)15/h1-8,10H,(H,18,19).
What are the key properties of N-(2-cyanophenyl)-1-benzothiophene-3-carboxamide?
N-(2-cyanophenyl)-1-benzothiophene-3-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 6468576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).