2,5-dimethoxy-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzenesulfonamide

C16H24N2O5S — CID 131918128

IUPAC2,5-dimethoxy-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzenesulfonamide
SMILESCCCN1CC(NS(=O)(=O)c2cc(OC)c(C)cc2OC)CC1=O
InChIInChI=1S/C16H24N2O5S/c1-5-6-18-10-12(8-16(18)19)17-24(20,21)15-9-13(22-3)11(2)7-14(15)23-4/h7,9,12,17H,5-6,8,10H2,1-4H3
InChIKeyINGQLCLWFFXVFP-UHFFFAOYSA-N
MW356.44 g/mol
LogP1.30
Rot. Bonds7

About 2,5-dimethoxy-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzenesulfonamide

2,5-dimethoxy-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzenesulfonamide (PubChem CID 131918128) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is 2,5-dimethoxy-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzenesulfonamide
PubChem CID131918128
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name2,5-dimethoxy-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzenesulfonamide
SMILESCCCN1CC(NS(=O)(=O)c2cc(OC)c(C)cc2OC)CC1=O
InChIInChI=1S/C16H24N2O5S/c1-5-6-18-10-12(8-16(18)19)17-24(20,21)15-9-13(22-3)11(2)7-14(15)23-4/h7,9,12,17H,5-6,8,10H2,1-4H3
InChIKeyINGQLCLWFFXVFP-UHFFFAOYSA-N
XLogP1.30
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-4,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 110736595
N-cyclohexyl-2,5-dimethoxy-4-methylbenzenesulfonamide
CID 6464098
4,5-dimethoxy-2-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 134006739
2-methoxy-4,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide
CID 3487220
2,5-dimethoxy-N,4-dimethylbenzenesulfonamide
CID 50876508
N-cyclohexyl-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 47314932
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide
CID 16829587
2-methoxy-5-methyl-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 129433932
ethyl 4-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 35308238
1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-(5-oxo-1-propylpyrrolidin-3-yl)urea
CID 118792157
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108566166
5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide
CID 79974645

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzenesulfonamide (CID 131918128) is 2,5-dimethoxy-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzenesulfonamide is CCCN1CC(NS(=O)(=O)c2cc(OC)c(C)cc2OC)CC1=O.
What is the InChIKey of 2,5-dimethoxy-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is INGQLCLWFFXVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-5-6-18-10-12(8-16(18)19)17-24(20,21)15-9-13(22-3)11(2)7-14(15)23-4/h7,9,12,17H,5-6,8,10H2,1-4H3.
What are the key properties of 2,5-dimethoxy-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzenesulfonamide?
2,5-dimethoxy-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 356.44 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 131918128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).