1-(2-cyanophenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide

C21H23N3O3S — CID 26928378

IUPAC1-(2-cyanophenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1
InChIInChI=1S/C21H23N3O3S/c1-16-6-2-3-8-19(16)15-23-21(25)17-10-12-24(13-11-17)28(26,27)20-9-5-4-7-18(20)14-22/h2-9,17H,10-13,15H2,1H3,(H,23,25)
InChIKeyFQPRRCSPUJFISV-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.58
Rot. Bonds5

About 1-(2-cyanophenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide

1-(2-cyanophenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 26928378) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 1-(2-cyanophenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID26928378
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name1-(2-cyanophenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1
InChIInChI=1S/C21H23N3O3S/c1-16-6-2-3-8-19(16)15-23-21(25)17-10-12-24(13-11-17)28(26,27)20-9-5-4-7-18(20)14-22/h2-9,17H,10-13,15H2,1H3,(H,23,25)
InChIKeyFQPRRCSPUJFISV-UHFFFAOYSA-N
XLogP2.58
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyanophenyl)sulfonyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 46466984
N-[(2-methylphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 27839070
N-[(2-fluorophenyl)methyl]-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004210
1-(2-cyanophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide
CID 41264253
1-(2-cyanophenyl)sulfonyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-4-carboxamide
CID 38092473
N-[(2-methylphenyl)methyl]-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003987
1-(2-cyanophenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 9081274
1-(3-chloro-2-methylphenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 58702028
1-(2-cyanophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-4-carboxamide
CID 24504654
1-(2-cyanophenyl)sulfonyl-N-(2,6-difluorophenyl)piperidine-4-carboxamide
CID 55414122
N-[(4-butoxy-3-methoxyphenyl)methyl]-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 39970958
1-(2-cyanophenyl)sulfonyl-N-(4-methylsulfanylphenyl)piperidine-4-carboxamide
CID 9180398

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-cyanophenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide (CID 26928378) is 1-(2-cyanophenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyanophenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyanophenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1.
What is the InChIKey of 1-(2-cyanophenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is FQPRRCSPUJFISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-16-6-2-3-8-19(16)15-23-21(25)17-10-12-24(13-11-17)28(26,27)20-9-5-4-7-18(20)14-22/h2-9,17H,10-13,15H2,1H3,(H,23,25).
What are the key properties of 1-(2-cyanophenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
1-(2-cyanophenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 26928378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).