N-methyl-N-[(2S)-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide

C25H33N3O4S — CID 21148035

IUPACN-methyl-N-[(2S)-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide
SMILESCN(C[C@@H](CCN1CCC(N2CCOC2=O)CC1)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H33N3O4S/c1-26(33(30,31)24-10-6-3-7-11-24)20-22(21-8-4-2-5-9-21)12-15-27-16-13-23(14-17-27)28-18-19-32-25(28)29/h2-11,22-23H,12-20H2,1H3/t22-/m1/s1
InChIKeyRBKFPXBLPYZBDH-JOCHJYFZSA-N
MW471.62 g/mol
LogP3.40
Rot. Bonds9

About N-methyl-N-[(2S)-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide

N-methyl-N-[(2S)-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide (PubChem CID 21148035) has the molecular formula C25H33N3O4S and a molecular weight of 471.62 g/mol. Its IUPAC name is N-methyl-N-[(2S)-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(2S)-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide
PubChem CID21148035
Molecular FormulaC25H33N3O4S
Molecular Weight471.62 g/mol
Exact Mass471.22
IUPAC NameN-methyl-N-[(2S)-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide
SMILESCN(C[C@@H](CCN1CCC(N2CCOC2=O)CC1)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H33N3O4S/c1-26(33(30,31)24-10-6-3-7-11-24)20-22(21-8-4-2-5-9-21)12-15-27-16-13-23(14-17-27)28-18-19-32-25(28)29/h2-11,22-23H,12-20H2,1H3/t22-/m1/s1
InChIKeyRBKFPXBLPYZBDH-JOCHJYFZSA-N
XLogP3.40
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.62
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-{4''-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-biphenyl-4-sulfonyl}-morpholine
CID 24886365
N-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenyl-butyl]-4-piperidyl]-N-ethyl-acetamide
CID 478418
tert-butyl 5-[(3S)-4-[benzenesulfonyl(methyl)amino]-3-methyl-3-phenyl-butyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1-carboxylate
CID 5275835
5-[4-(Benzenesulfonyl-methyl-amino)-3-methyl-3-phenyl-butyl]-octahydro-pyrrolo[3,2-c]pyridine-1-carboxylic acid tert-butyl ester
CID 6320582
Benzenesulfonamide, N-methyl-N-[(2S)-4-[4-[(4S,5R)-4-methyl-2-oxo-5-phenyl-3-oxazolidinyl]-1-piperidinyl]-2-phenylbutyl]-
CID 5275832
Benzenesulfonamide, N-methyl-N-[(2S)-4-[4-[(4R,5R)-4-methyl-2-oxo-5-phenyl-3-oxazolidinyl]-1-piperidinyl]-2-phenylbutyl]-
CID 5275833
N-Methyl-N-{(S)-4-[4-((R)-2-oxo-5-phenyl-oxazolidin-3-yl)-piperidin-1-yl]-2-phenyl-butyl}-benzenesulfonamide
CID 6320579
5-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-octahydro-pyrrolo[3,2-c]pyridine-1-carboxylic acid tert-butyl ester
CID 6320581
3,5-dimethyl-4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylmorpholine
CID 44254219
{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-cyclopentylmethyl-carbamic acid methyl ester
CID 44325710
{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-ethyl-carbamic acid methyl ester
CID 44461513
{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-butyl-carbamic acid methyl ester
CID 44461521

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2S)-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide?
The IUPAC name of N-methyl-N-[(2S)-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide (CID 21148035) is N-methyl-N-[(2S)-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[(2S)-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide?
The canonical SMILES for N-methyl-N-[(2S)-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide is CN(C[C@@H](CCN1CCC(N2CCOC2=O)CC1)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[(2S)-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide?
The InChIKey is RBKFPXBLPYZBDH-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H33N3O4S/c1-26(33(30,31)24-10-6-3-7-11-24)20-22(21-8-4-2-5-9-21)12-15-27-16-13-23(14-17-27)28-18-19-32-25(28)29/h2-11,22-23H,12-20H2,1H3/t22-/m1/s1.
What are the key properties of N-methyl-N-[(2S)-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide?
N-methyl-N-[(2S)-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide has a molecular weight of 471.62 g/mol, XLogP of 3.40, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2S)-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide is sourced from PubChem (CID 21148035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).