3-methyl-6-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]sulfonyl-1,3-benzoxazol-2-one

C19H20N2O4S — CID 51550811

IUPAC3-methyl-6-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]sulfonyl-1,3-benzoxazol-2-one
SMILESCc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1
InChIInChI=1S/C19H20N2O4S/c1-13-5-3-6-14(11-13)16-7-4-10-21(16)26(23,24)15-8-9-17-18(12-15)25-19(22)20(17)2/h3,5-6,8-9,11-12,16H,4,7,10H2,1-2H3/t16-/m0/s1
InChIKeyIPIAWLAIYZRIDR-INIZCTEOSA-N
MW372.45 g/mol
LogP2.97
Rot. Bonds3

About 3-methyl-6-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]sulfonyl-1,3-benzoxazol-2-one

3-methyl-6-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]sulfonyl-1,3-benzoxazol-2-one (PubChem CID 51550811) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 3-methyl-6-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]sulfonyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-methyl-6-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]sulfonyl-1,3-benzoxazol-2-one
PubChem CID51550811
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name3-methyl-6-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]sulfonyl-1,3-benzoxazol-2-one
SMILESCc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1
InChIInChI=1S/C19H20N2O4S/c1-13-5-3-6-14(11-13)16-7-4-10-21(16)26(23,24)15-8-9-17-18(12-15)25-19(22)20(17)2/h3,5-6,8-9,11-12,16H,4,7,10H2,1-2H3/t16-/m0/s1
InChIKeyIPIAWLAIYZRIDR-INIZCTEOSA-N
XLogP2.97
TPSA72.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-6-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]sulfonyl-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 61409148
6-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 46966853
(2S)-2-(3-methylphenyl)-1-methylsulfonylpyrrolidine
CID 51694768
1-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)azepane
CID 53096117
(2S)-1-(4-chlorophenyl)sulfonyl-2-(3-methylphenyl)azepane
CID 95078859
2-(3-methylphenyl)-1-(4-propan-2-ylphenyl)sulfonylazepane
CID 53096220
(2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(3-methylphenyl)azepane
CID 95079122
(2R)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 50828997
3-methyl-6-(4-methyl-3-phenylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-2-one
CID 110602902
6-(4-aminopiperidin-1-yl)sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 43556311
(2S)-1-(5-bromothiophen-2-yl)sulfonyl-2-(3-methylphenyl)pyrrolidine
CID 94080774
(2R)-1-(2,5-difluorophenyl)sulfonyl-2-(3-methylphenyl)pyrrolidine
CID 51855807

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]sulfonyl-1,3-benzoxazol-2-one?
The IUPAC name of 3-methyl-6-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]sulfonyl-1,3-benzoxazol-2-one (CID 51550811) is 3-methyl-6-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]sulfonyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-methyl-6-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]sulfonyl-1,3-benzoxazol-2-one?
The canonical SMILES for 3-methyl-6-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]sulfonyl-1,3-benzoxazol-2-one is Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1.
What is the InChIKey of 3-methyl-6-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]sulfonyl-1,3-benzoxazol-2-one?
The InChIKey is IPIAWLAIYZRIDR-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-13-5-3-6-14(11-13)16-7-4-10-21(16)26(23,24)15-8-9-17-18(12-15)25-19(22)20(17)2/h3,5-6,8-9,11-12,16H,4,7,10H2,1-2H3/t16-/m0/s1.
What are the key properties of 3-methyl-6-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]sulfonyl-1,3-benzoxazol-2-one?
3-methyl-6-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]sulfonyl-1,3-benzoxazol-2-one has a molecular weight of 372.45 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]sulfonyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 51550811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).