N-(3-cyanothiophen-2-yl)-2-methylbenzamide

C13H10N2OS — CID 7192349

IUPACN-(3-cyanothiophen-2-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1sccc1C#N
InChIInChI=1S/C13H10N2OS/c1-9-4-2-3-5-11(9)12(16)15-13-10(8-14)6-7-17-13/h2-7H,1H3,(H,15,16)
InChIKeyZWIPTXJWDSUXPL-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.18
Rot. Bonds2

About N-(3-cyanothiophen-2-yl)-2-methylbenzamide

N-(3-cyanothiophen-2-yl)-2-methylbenzamide (PubChem CID 7192349) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-methylbenzamide
PubChem CID7192349
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC NameN-(3-cyanothiophen-2-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1sccc1C#N
InChIInChI=1S/C13H10N2OS/c1-9-4-2-3-5-11(9)12(16)15-13-10(8-14)6-7-17-13/h2-7H,1H3,(H,15,16)
InChIKeyZWIPTXJWDSUXPL-UHFFFAOYSA-N
XLogP3.18
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3-cyanothiophen-2-yl)benzamide
CID 2105085
[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate
CID 8565163
N-(3-cyanothiophen-2-yl)-2-ethylsulfonylbenzamide
CID 7578700
N-(3-cyanothiophen-2-yl)-2-phenoxybenzamide
CID 7192379
N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide
CID 2137658
N-(3-cyanothiophen-2-yl)-1H-indole-3-carboxamide
CID 60659752
N-(3-cyanothiophen-2-yl)-2-ethoxypyridine-3-carboxamide
CID 26187236
N-(3-cyanothiophen-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297195
(2S)-N-(3-cyanothiophen-2-yl)-2-[(2-methylphenyl)methylsulfanyl]propanamide
CID 8972326
N-(3-cyanothiophen-2-yl)-2,6-dimethoxybenzamide
CID 7192360
methyl 4-[(3-cyanothiophen-2-yl)carbamoyl]benzoate
CID 2137661
N-(3-cyanothiophen-2-yl)-4-ethylbenzamide
CID 8914983

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-methylbenzamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-methylbenzamide (CID 7192349) is N-(3-cyanothiophen-2-yl)-2-methylbenzamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-methylbenzamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-methylbenzamide is Cc1ccccc1C(=O)Nc1sccc1C#N.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-methylbenzamide?
The InChIKey is ZWIPTXJWDSUXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c1-9-4-2-3-5-11(9)12(16)15-13-10(8-14)6-7-17-13/h2-7H,1H3,(H,15,16).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-methylbenzamide?
N-(3-cyanothiophen-2-yl)-2-methylbenzamide has a molecular weight of 242.30 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-methylbenzamide is sourced from PubChem (CID 7192349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).