N-methyl-N-[(2S)-4-[4-[(5R)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide

C31H37N3O4S — CID 6320579

IUPACN-methyl-N-[(2S)-4-[4-[(5R)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide
SMILESCN(C[C@@H](CCN1CCC(N2C[C@@H](c3ccccc3)OC2=O)CC1)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C31H37N3O4S/c1-32(39(36,37)29-15-9-4-10-16-29)23-27(25-11-5-2-6-12-25)17-20-33-21-18-28(19-22-33)34-24-30(38-31(34)35)26-13-7-3-8-14-26/h2-16,27-28,30H,17-24H2,1H3/t27-,30+/m1/s1
InChIKeyZXOCLNODMLUZQA-OFSOJUDTSA-N
MW547.72 g/mol
LogP5.14
Rot. Bonds10

About N-methyl-N-[(2S)-4-[4-[(5R)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide

N-methyl-N-[(2S)-4-[4-[(5R)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide (PubChem CID 6320579) has the molecular formula C31H37N3O4S and a molecular weight of 547.72 g/mol. Its IUPAC name is N-methyl-N-[(2S)-4-[4-[(5R)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(2S)-4-[4-[(5R)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide
PubChem CID6320579
Molecular FormulaC31H37N3O4S
Molecular Weight547.72 g/mol
Exact Mass547.25
IUPAC NameN-methyl-N-[(2S)-4-[4-[(5R)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide
SMILESCN(C[C@@H](CCN1CCC(N2C[C@@H](c3ccccc3)OC2=O)CC1)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C31H37N3O4S/c1-32(39(36,37)29-15-9-4-10-16-29)23-27(25-11-5-2-6-12-25)17-20-33-21-18-28(19-22-33)34-24-30(38-31(34)35)26-13-7-3-8-14-26/h2-16,27-28,30H,17-24H2,1H3/t27-,30+/m1/s1
InChIKeyZXOCLNODMLUZQA-OFSOJUDTSA-N
XLogP5.14
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.72
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2S)-4-[4-[(5R)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide?
The IUPAC name of N-methyl-N-[(2S)-4-[4-[(5R)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide (CID 6320579) is N-methyl-N-[(2S)-4-[4-[(5R)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[(2S)-4-[4-[(5R)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide?
The canonical SMILES for N-methyl-N-[(2S)-4-[4-[(5R)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide is CN(C[C@@H](CCN1CCC(N2C[C@@H](c3ccccc3)OC2=O)CC1)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[(2S)-4-[4-[(5R)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide?
The InChIKey is ZXOCLNODMLUZQA-OFSOJUDTSA-N. The full InChI is InChI=1S/C31H37N3O4S/c1-32(39(36,37)29-15-9-4-10-16-29)23-27(25-11-5-2-6-12-25)17-20-33-21-18-28(19-22-33)34-24-30(38-31(34)35)26-13-7-3-8-14-26/h2-16,27-28,30H,17-24H2,1H3/t27-,30+/m1/s1.
What are the key properties of N-methyl-N-[(2S)-4-[4-[(5R)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide?
N-methyl-N-[(2S)-4-[4-[(5R)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide has a molecular weight of 547.72 g/mol, XLogP of 5.14, 10 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-[(5R)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide is sourced from PubChem (CID 6320579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).