4-methyl-N-[3-methyl-1-oxo-1-(4-oxoimidazolidin-1-yl)butan-2-yl]benzenesulfonamide

C15H21N3O4S — CID 166323916

IUPAC4-methyl-N-[3-methyl-1-oxo-1-(4-oxoimidazolidin-1-yl)butan-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C(=O)N2CNC(=O)C2)C(C)C)cc1
InChIInChI=1S/C15H21N3O4S/c1-10(2)14(15(20)18-8-13(19)16-9-18)17-23(21,22)12-6-4-11(3)5-7-12/h4-7,10,14,17H,8-9H2,1-3H3,(H,16,19)
InChIKeyLRVXKSRNGNUMAE-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.21
Rot. Bonds5

About 4-methyl-N-[3-methyl-1-oxo-1-(4-oxoimidazolidin-1-yl)butan-2-yl]benzenesulfonamide

4-methyl-N-[3-methyl-1-oxo-1-(4-oxoimidazolidin-1-yl)butan-2-yl]benzenesulfonamide (PubChem CID 166323916) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-methyl-N-[3-methyl-1-oxo-1-(4-oxoimidazolidin-1-yl)butan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-methyl-1-oxo-1-(4-oxoimidazolidin-1-yl)butan-2-yl]benzenesulfonamide
PubChem CID166323916
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name4-methyl-N-[3-methyl-1-oxo-1-(4-oxoimidazolidin-1-yl)butan-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C(=O)N2CNC(=O)C2)C(C)C)cc1
InChIInChI=1S/C15H21N3O4S/c1-10(2)14(15(20)18-8-13(19)16-9-18)17-23(21,22)12-6-4-11(3)5-7-12/h4-7,10,14,17H,8-9H2,1-3H3,(H,16,19)
InChIKeyLRVXKSRNGNUMAE-UHFFFAOYSA-N
XLogP0.21
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]benzenesulfonamide
CID 27670347
N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxobutan-2-yl]-4-methylbenzenesulfonamide
CID 17457450
N-[(2S)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzenesulfonamide
CID 24537444
4-methyl-N-[(2S,3R)-3-methyl-1,4-dioxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
CID 58703519
(2S,3R)-3-methyl-2-[[1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]piperidine-4-carbonyl]amino]pentanoic acid
CID 664628
4-bromo-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]benzenesulfonamide
CID 27670291
4-methyl-N-[(2R,3R)-3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]benzenesulfonamide
CID 41255102
[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate
CID 45354540
(2S)-3-methyl-2-[[1-[(2R,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]piperidine-4-carbonyl]amino]butanoic acid
CID 92507036
4-methyl-N-[(2S,3S)-3-methyl-1-[16-[(2R,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-1-oxopentan-2-yl]benzenesulfonamide
CID 124600522
(2S)-2-tert-butyl-3-[(4-methylphenyl)sulfonylamino]-4-morpholin-4-yl-4-oxobutanoic acid
CID 159640251
4-bromo-N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methyl-1-oxobutan-2-yl]benzenesulfonamide
CID 56520176

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-methyl-1-oxo-1-(4-oxoimidazolidin-1-yl)butan-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-methyl-1-oxo-1-(4-oxoimidazolidin-1-yl)butan-2-yl]benzenesulfonamide (CID 166323916) is 4-methyl-N-[3-methyl-1-oxo-1-(4-oxoimidazolidin-1-yl)butan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-methyl-1-oxo-1-(4-oxoimidazolidin-1-yl)butan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-methyl-1-oxo-1-(4-oxoimidazolidin-1-yl)butan-2-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C(=O)N2CNC(=O)C2)C(C)C)cc1.
What is the InChIKey of 4-methyl-N-[3-methyl-1-oxo-1-(4-oxoimidazolidin-1-yl)butan-2-yl]benzenesulfonamide?
The InChIKey is LRVXKSRNGNUMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-10(2)14(15(20)18-8-13(19)16-9-18)17-23(21,22)12-6-4-11(3)5-7-12/h4-7,10,14,17H,8-9H2,1-3H3,(H,16,19).
What are the key properties of 4-methyl-N-[3-methyl-1-oxo-1-(4-oxoimidazolidin-1-yl)butan-2-yl]benzenesulfonamide?
4-methyl-N-[3-methyl-1-oxo-1-(4-oxoimidazolidin-1-yl)butan-2-yl]benzenesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-methyl-1-oxo-1-(4-oxoimidazolidin-1-yl)butan-2-yl]benzenesulfonamide is sourced from PubChem (CID 166323916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).