N-[(4-methylphenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C25H27N3O3S — CID 43071749

IUPACN-[(4-methylphenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCc1ccc(C(NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C25H27N3O3S/c1-19-9-11-21(12-10-19)24(20-6-3-2-4-7-20)27-25(29)22-13-16-28(17-14-22)32(30,31)23-8-5-15-26-18-23/h2-12,15,18,22,24H,13-14,16-17H2,1H3,(H,27,29)
InChIKeyVQUITJCFAARHFO-UHFFFAOYSA-N
MW449.58 g/mol
LogP3.70
Rot. Bonds6

About N-[(4-methylphenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-[(4-methylphenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 43071749) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-[(4-methylphenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID43071749
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC NameN-[(4-methylphenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCc1ccc(C(NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C25H27N3O3S/c1-19-9-11-21(12-10-19)24(20-6-3-2-4-7-20)27-25(29)22-13-16-28(17-14-22)32(30,31)23-8-5-15-26-18-23/h2-12,15,18,22,24H,13-14,16-17H2,1H3,(H,27,29)
InChIKeyVQUITJCFAARHFO-UHFFFAOYSA-N
XLogP3.70
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43071922
N-(1-pyridin-3-ylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43066226
1-(3-acetylphenyl)sulfonyl-N-[(R)-(4-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 40897728
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 40966975
N-(3,3-diphenylpropyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30892157
N-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46407164
1-(benzenesulfonyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 25411571
1-pyridin-3-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 20851608
2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 120525861
(3S)-N-benzhydryl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078436
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55603422
1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 1077698

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-methylphenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 43071749) is N-[(4-methylphenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is Cc1ccc(C(NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is VQUITJCFAARHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-19-9-11-21(12-10-19)24(20-6-3-2-4-7-20)27-25(29)22-13-16-28(17-14-22)32(30,31)23-8-5-15-26-18-23/h2-12,15,18,22,24H,13-14,16-17H2,1H3,(H,27,29).
What are the key properties of N-[(4-methylphenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-[(4-methylphenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 449.58 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 43071749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).