4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide

C17H26N2O3S — CID 25271984

IUPAC4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCCC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-13(2)12-16(17(20)19-10-4-5-11-19)18-23(21,22)15-8-6-14(3)7-9-15/h6-9,13,16,18H,4-5,10-12H2,1-3H3/t16-/m0/s1
InChIKeyUDKIRDCGKZABIL-INIZCTEOSA-N
MW338.47 g/mol
LogP2.31
Rot. Bonds6

About 4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide

4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide (PubChem CID 25271984) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
PubChem CID25271984
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCCC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-13(2)12-16(17(20)19-10-4-5-11-19)18-23(21,22)15-8-6-14(3)7-9-15/h6-9,13,16,18H,4-5,10-12H2,1-3H3/t16-/m0/s1
InChIKeyUDKIRDCGKZABIL-INIZCTEOSA-N
XLogP2.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
CID 110351459
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
CID 155168701
4-methyl-N-[(2R)-4-methyl-1-[16-[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-1-oxopentan-2-yl]benzenesulfonamide
CID 124600524
N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
CID 35510552
4-methyl-N-[4-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzenesulfonamide
CID 119490221
N,N-dimethyl-2-[4-[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-1,4-diazepan-1-yl]acetamide
CID 55642077
N-[1-(3-ethoxypiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
CID 47735927
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-1-(4-methylphenyl)methanesulfonamide
CID 110351444
4-methyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]benzenesulfonamide
CID 9462907
4-methyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]benzenesulfonamide
CID 27670347
4-methyl-N-[(2R,3R)-3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]benzenesulfonamide
CID 41255102
(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 8897361

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide (CID 25271984) is 4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCCC2)cc1.
What is the InChIKey of 4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide?
The InChIKey is UDKIRDCGKZABIL-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-13(2)12-16(17(20)19-10-4-5-11-19)18-23(21,22)15-8-6-14(3)7-9-15/h6-9,13,16,18H,4-5,10-12H2,1-3H3/t16-/m0/s1.
What are the key properties of 4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide?
4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 25271984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).