N-(2-methyl-3-phenylpropyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide

C21H26N2O3S — CID 110356537

IUPACN-(2-methyl-3-phenylpropyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(N2CCCCC2=O)cc1)Cc1ccccc1
InChIInChI=1S/C21H26N2O3S/c1-17(15-18-7-3-2-4-8-18)16-22-27(25,26)20-12-10-19(11-13-20)23-14-6-5-9-21(23)24/h2-4,7-8,10-13,17,22H,5-6,9,14-16H2,1H3
InChIKeyNTIIOFVFINNBIP-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.36
Rot. Bonds7

About N-(2-methyl-3-phenylpropyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide

N-(2-methyl-3-phenylpropyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide (PubChem CID 110356537) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(2-methyl-3-phenylpropyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-3-phenylpropyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide
PubChem CID110356537
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-(2-methyl-3-phenylpropyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(N2CCCCC2=O)cc1)Cc1ccccc1
InChIInChI=1S/C21H26N2O3S/c1-17(15-18-7-3-2-4-8-18)16-22-27(25,26)20-12-10-19(11-13-20)23-14-6-5-9-21(23)24/h2-4,7-8,10-13,17,22H,5-6,9,14-16H2,1H3
InChIKeyNTIIOFVFINNBIP-UHFFFAOYSA-N
XLogP3.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-butan-2-yl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 42346693
N-[4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636091
N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 51853447
N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide
CID 90553974
N-[2-(4-methylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 112502519
4-(2-oxopiperidin-1-yl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 110312144
N-(naphthalen-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 99599483
N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822857
N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 110301295
4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylpropyl]benzenesulfonamide
CID 30386601
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 28954772

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-phenylpropyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(2-methyl-3-phenylpropyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide (CID 110356537) is N-(2-methyl-3-phenylpropyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-methyl-3-phenylpropyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(2-methyl-3-phenylpropyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide is CC(CNS(=O)(=O)c1ccc(N2CCCCC2=O)cc1)Cc1ccccc1.
What is the InChIKey of N-(2-methyl-3-phenylpropyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide?
The InChIKey is NTIIOFVFINNBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-17(15-18-7-3-2-4-8-18)16-22-27(25,26)20-12-10-19(11-13-20)23-14-6-5-9-21(23)24/h2-4,7-8,10-13,17,22H,5-6,9,14-16H2,1H3.
What are the key properties of N-(2-methyl-3-phenylpropyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide?
N-(2-methyl-3-phenylpropyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-phenylpropyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 110356537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).