4-methoxy-3-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide

C15H22N2O4S — CID 6463582

IUPAC4-methoxy-3-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C(=O)N2CCCC2)cc1C
InChIInChI=1S/C15H22N2O4S/c1-11-10-13(6-7-14(11)21-3)22(19,20)16-12(2)15(18)17-8-4-5-9-17/h6-7,10,12,16H,4-5,8-9H2,1-3H3
InChIKeyPICAENVFQUOXPP-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.29
Rot. Bonds5

About 4-methoxy-3-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide

4-methoxy-3-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide (PubChem CID 6463582) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
PubChem CID6463582
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name4-methoxy-3-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C(=O)N2CCCC2)cc1C
InChIInChI=1S/C15H22N2O4S/c1-11-10-13(6-7-14(11)21-3)22(19,20)16-12(2)15(18)17-8-4-5-9-17/h6-7,10,12,16H,4-5,8-9H2,1-3H3
InChIKeyPICAENVFQUOXPP-UHFFFAOYSA-N
XLogP1.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Sulpiride
CID 5355
Levosulpiride
CID 688272
Sulmepride
CID 3018598
Sulpiride, (R)-
CID 643497
Prosulpride
CID 68880
(2S)-N-hydroxy-3-[(4-phenylmethoxyphenyl)sulfonylamino]-2-pyrrolidin-1-ylpropanamide
CID 49854307
(2R)-2-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide
CID 57391136
(2S)-1-[(2S)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidine-2-carbonyl]-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 50985881
Sulpiride hydrochloride
CID 3015163
N-cyclopropyl-1-[(4-methoxy-3-methylphenyl)sulfonyl]-4-piperidinecarboxamide
CID 1093382
4-methoxy-N,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1243945
N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 2215724

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide (CID 6463582) is 4-methoxy-3-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)C(=O)N2CCCC2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is PICAENVFQUOXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-11-10-13(6-7-14(11)21-3)22(19,20)16-12(2)15(18)17-8-4-5-9-17/h6-7,10,12,16H,4-5,8-9H2,1-3H3.
What are the key properties of 4-methoxy-3-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
4-methoxy-3-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 6463582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).