N-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide

C16H11ClN2OS — CID 103811225

IUPACN-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CSc3ccccc32)c(Cl)c1
InChIInChI=1S/C16H11ClN2OS/c17-13-7-10(8-18)5-6-14(13)19-16(20)12-9-21-15-4-2-1-3-11(12)15/h1-7,12H,9H2,(H,19,20)
InChIKeyGOULYOXTOFTQMT-UHFFFAOYSA-N
MW314.80 g/mol
LogP4.04
Rot. Bonds2

About N-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide

N-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide (PubChem CID 103811225) has the molecular formula C16H11ClN2OS and a molecular weight of 314.80 g/mol. Its IUPAC name is N-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
PubChem CID103811225
Molecular FormulaC16H11ClN2OS
Molecular Weight314.80 g/mol
Exact Mass314.03
IUPAC NameN-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CSc3ccccc32)c(Cl)c1
InChIInChI=1S/C16H11ClN2OS/c17-13-7-10(8-18)5-6-14(13)19-16(20)12-9-21-15-4-2-1-3-11(12)15/h1-7,12H,9H2,(H,19,20)
InChIKeyGOULYOXTOFTQMT-UHFFFAOYSA-N
XLogP4.04
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzothiophene-3-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

N-[(4-cyanophenyl)methyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993513
N-[2-(chloromethyl)phenyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 114298085
N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993536
(3R)-N-(2-chloro-4-cyanophenyl)piperidine-3-carboxamide
CID 107807941
N-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 103799791
N-[(4-cyanophenyl)methyl]-6-(2,3-dihydro-1-benzothiophene-3-carbonylamino)pyrimidine-4-carboxamide
CID 70306687
(1S,6R)-6-[(2-chloro-4-cyanophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 107807118
(2R,5S)-5-[(2-chloro-4-cyanophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 107807123
N-(3-amino-2-methylphenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79213650
N-(5-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 107595846
(3R)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 95771444
N-(2-chloro-4-cyanophenyl)-5-methyloxolane-3-carboxamide
CID 102676300

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide (CID 103811225) is N-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide is N#Cc1ccc(NC(=O)C2CSc3ccccc32)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The InChIKey is GOULYOXTOFTQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2OS/c17-13-7-10(8-18)5-6-14(13)19-16(20)12-9-21-15-4-2-1-3-11(12)15/h1-7,12H,9H2,(H,19,20).
What are the key properties of N-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
N-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide has a molecular weight of 314.80 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 103811225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).