N-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperidine-1-carboxamide

C20H24N2O3S — CID 71892974

IUPACN-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperidine-1-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)N2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O3S/c1-26(24,25)19-9-7-16(8-10-19)15-21-20(23)22-13-11-18(12-14-22)17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3,(H,21,23)
InChIKeyHPDXALBFKIBSSO-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.18
Rot. Bonds4

About N-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperidine-1-carboxamide

N-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperidine-1-carboxamide (PubChem CID 71892974) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperidine-1-carboxamide
PubChem CID71892974
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperidine-1-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)N2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O3S/c1-26(24,25)19-9-7-16(8-10-19)15-21-20(23)22-13-11-18(12-14-22)17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3,(H,21,23)
InChIKeyHPDXALBFKIBSSO-UHFFFAOYSA-N
XLogP3.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 9207921
1-[(1S)-1-phenylethyl]-3-[3-(4-sulfamoylphenyl)propyl]urea
CID 127045089
1-[1-[4-[Benzenesulfonyl(methyl)amino]-3-phenyl-butyl]-4-piperidyl]-3-benzyl-urea
CID 478440
Benzenesulfonamide, N-methyl-N-[2-phenyl-4-[4-[[[(phenylmethyl)amino]carbonyl]propylamino]-1-piperidinyl]butyl]-
CID 478445
Benzenesulfonamide, N-methyl-N-[2-phenyl-4-[4-[[[[(1R)-1-phenylethyl]amino]carbonyl]propylamino]-1-piperidinyl]butyl]-
CID 478446
Benzenesulfonamide, N-methyl-N-[2-phenyl-4-[4-[[[[(1S)-1-phenylethyl]amino]carbonyl]propylamino]-1-piperidinyl]butyl]-
CID 478447
Benzenesulfonamide, N-[4-[4-[ethyl[(methylamino)carbonyl]amino]-1-piperidinyl]-2-phenylbutyl]-N-methyl-
CID 486608
N-benzyl-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 7388109
1-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-1-ethyl-3-(4-methanesulfonyl-benzyl)-urea
CID 44392176
N-(4-(phenylsulfonyl)benzyl)isoindoline-2-carboxamide
CID 71819528
1-[(1R)-1-phenylethyl]-3-[3-(4-sulfamoylphenyl)propyl]urea
CID 127045090
N-((4-fluoro-1-(4-(methylsulfonyl) benzyl)piperidin-4-yl)methyl)-trans-2-phenylcyclopropylamine
CID 130453535

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperidine-1-carboxamide?
The IUPAC name of N-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperidine-1-carboxamide (CID 71892974) is N-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperidine-1-carboxamide is CS(=O)(=O)c1ccc(CNC(=O)N2CCC(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperidine-1-carboxamide?
The InChIKey is HPDXALBFKIBSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-26(24,25)19-9-7-16(8-10-19)15-21-20(23)22-13-11-18(12-14-22)17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3,(H,21,23).
What are the key properties of N-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperidine-1-carboxamide?
N-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperidine-1-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 71892974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).