2-chloro-N-(3-cyanothiophen-2-yl)benzamide

C12H7ClN2OS — CID 2105085

IUPAC2-chloro-N-(3-cyanothiophen-2-yl)benzamide
SMILESN#Cc1ccsc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C12H7ClN2OS/c13-10-4-2-1-3-9(10)11(16)15-12-8(7-14)5-6-17-12/h1-6H,(H,15,16)
InChIKeyIPCADQIYKSDSIW-UHFFFAOYSA-N
MW262.72 g/mol
LogP3.53
Rot. Bonds2

About 2-chloro-N-(3-cyanothiophen-2-yl)benzamide

2-chloro-N-(3-cyanothiophen-2-yl)benzamide (PubChem CID 2105085) has the molecular formula C12H7ClN2OS and a molecular weight of 262.72 g/mol. Its IUPAC name is 2-chloro-N-(3-cyanothiophen-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(3-cyanothiophen-2-yl)benzamide
PubChem CID2105085
Molecular FormulaC12H7ClN2OS
Molecular Weight262.72 g/mol
Exact Mass262.00
IUPAC Name2-chloro-N-(3-cyanothiophen-2-yl)benzamide
SMILESN#Cc1ccsc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C12H7ClN2OS/c13-10-4-2-1-3-9(10)11(16)15-12-8(7-14)5-6-17-12/h1-6H,(H,15,16)
InChIKeyIPCADQIYKSDSIW-UHFFFAOYSA-N
XLogP3.53
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanothiophen-2-yl)-2-methylbenzamide
CID 7192349
N-(3-cyanothiophen-2-yl)-2-phenoxybenzamide
CID 7192379
N-(3-cyanothiophen-2-yl)-2-ethylsulfonylbenzamide
CID 7578700
N-(3-cyanothiophen-2-yl)-1H-indole-3-carboxamide
CID 60659752
N-(3-cyanothiophen-2-yl)-2-ethoxypyridine-3-carboxamide
CID 26187236
2-chloro-N-(3-cyanothiophen-2-yl)-5-(diethylsulfamoyl)benzamide
CID 26187229
N-(3-cyanothiophen-2-yl)-3-(2,3-dichlorophenyl)propanamide
CID 38907391
3-bromo-N-(3-cyanothiophen-2-yl)thiophene-2-carboxamide
CID 60778072
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide
CID 9445061
N-(3-cyanothiophen-2-yl)-2,6-dimethoxybenzamide
CID 7192360
2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanylbenzamide
CID 154836572
methyl 4-[(3-cyanothiophen-2-yl)carbamoyl]benzoate
CID 2137661

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-cyanothiophen-2-yl)benzamide?
The IUPAC name of 2-chloro-N-(3-cyanothiophen-2-yl)benzamide (CID 2105085) is 2-chloro-N-(3-cyanothiophen-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(3-cyanothiophen-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-(3-cyanothiophen-2-yl)benzamide is N#Cc1ccsc1NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(3-cyanothiophen-2-yl)benzamide?
The InChIKey is IPCADQIYKSDSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2OS/c13-10-4-2-1-3-9(10)11(16)15-12-8(7-14)5-6-17-12/h1-6H,(H,15,16).
What are the key properties of 2-chloro-N-(3-cyanothiophen-2-yl)benzamide?
2-chloro-N-(3-cyanothiophen-2-yl)benzamide has a molecular weight of 262.72 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-cyanothiophen-2-yl)benzamide is sourced from PubChem (CID 2105085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).