2-methoxy-5-methyl-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzenesulfonamide

C16H22N2O4S — CID 129433932

IUPAC2-methoxy-5-methyl-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1
InChIInChI=1S/C16H22N2O4S/c1-10-4-5-14(22-3)15(6-10)23(20,21)17-12-8-16(19)18(9-12)13-7-11(13)2/h4-6,11-13,17H,7-9H2,1-3H3/t11-,12-,13+/m1/s1
InChIKeyVJTYDURLMPWHJU-UPJWGTAASA-N
MW338.43 g/mol
LogP1.29
Rot. Bonds5

About 2-methoxy-5-methyl-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzenesulfonamide

2-methoxy-5-methyl-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzenesulfonamide (PubChem CID 129433932) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzenesulfonamide
PubChem CID129433932
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name2-methoxy-5-methyl-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1
InChIInChI=1S/C16H22N2O4S/c1-10-4-5-14(22-3)15(6-10)23(20,21)17-12-8-16(19)18(9-12)13-7-11(13)2/h4-6,11-13,17H,7-9H2,1-3H3/t11-,12-,13+/m1/s1
InChIKeyVJTYDURLMPWHJU-UPJWGTAASA-N
XLogP1.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 110736595
3,4-dimethoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564535
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide
CID 16829587
N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2-methoxy-5-methylbenzenesulfonamide
CID 129403673
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 114631537
2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 967907
N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzenesulfonamide
CID 63252483
2,5-dimethoxy-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzenesulfonamide
CID 131918128
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-4-methylbenzenesulfonamide
CID 110719771
4-(2-methoxy-5-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2933021
5-bromo-2-methoxy-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113248092

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzenesulfonamide (CID 129433932) is 2-methoxy-5-methyl-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1.
What is the InChIKey of 2-methoxy-5-methyl-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is VJTYDURLMPWHJU-UPJWGTAASA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-10-4-5-14(22-3)15(6-10)23(20,21)17-12-8-16(19)18(9-12)13-7-11(13)2/h4-6,11-13,17H,7-9H2,1-3H3/t11-,12-,13+/m1/s1.
What are the key properties of 2-methoxy-5-methyl-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzenesulfonamide?
2-methoxy-5-methyl-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 338.43 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 2-methoxy-5-methyl-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 129433932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).