2-chloro-N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]benzamide

C19H18ClN3O2S — CID 1131109

IUPAC2-chloro-N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]benzamide
SMILESCc1c(C(=O)N2CCCCC2)sc(NC(=O)c2ccccc2Cl)c1C#N
InChIInChI=1S/C19H18ClN3O2S/c1-12-14(11-21)18(22-17(24)13-7-3-4-8-15(13)20)26-16(12)19(25)23-9-5-2-6-10-23/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,22,24)
InChIKeyCJDVVTBSSFXXNO-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.46
Rot. Bonds3

About 2-chloro-N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]benzamide

2-chloro-N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]benzamide (PubChem CID 1131109) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is 2-chloro-N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]benzamide
PubChem CID1131109
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC Name2-chloro-N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]benzamide
SMILESCc1c(C(=O)N2CCCCC2)sc(NC(=O)c2ccccc2Cl)c1C#N
InChIInChI=1S/C19H18ClN3O2S/c1-12-14(11-21)18(22-17(24)13-7-3-4-8-15(13)20)26-16(12)19(25)23-9-5-2-6-10-23/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,22,24)
InChIKeyCJDVVTBSSFXXNO-UHFFFAOYSA-N
XLogP4.46
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-3-methoxybenzamide
CID 1131058
N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-fluorobenzamide
CID 1130935
N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-4-methoxybenzamide
CID 1131597
N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]propanamide
CID 655573
2-[[3-cyano-4-methyl-5-(phenylcarbamoyl)thiophen-2-yl]carbamoyl]cyclohexene-1-carboxylic acid
CID 53270797
2-chloro-N-[3-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]phenyl]benzamide
CID 34589296
N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
CID 2985638
N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-1,3-benzodioxole-5-carboxamide
CID 648943
2-chloro-N-[(5R)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide
CID 7090544
methyl 5-[(2-chloro-4-nitrobenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate
CID 2295217
2-chloro-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)benzamide
CID 19226463
2-chloro-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide
CID 4318316

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]benzamide (CID 1131109) is 2-chloro-N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]benzamide is Cc1c(C(=O)N2CCCCC2)sc(NC(=O)c2ccccc2Cl)c1C#N.
What is the InChIKey of 2-chloro-N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]benzamide?
The InChIKey is CJDVVTBSSFXXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-12-14(11-21)18(22-17(24)13-7-3-4-8-15(13)20)26-16(12)19(25)23-9-5-2-6-10-23/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,22,24).
What are the key properties of 2-chloro-N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]benzamide?
2-chloro-N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]benzamide has a molecular weight of 387.89 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]benzamide is sourced from PubChem (CID 1131109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).