4-methoxy-3-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide

C20H24N2O4S — CID 99580883

IUPAC4-methoxy-3-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1C
InChIInChI=1S/C20H24N2O4S/c1-15-12-18(9-10-19(15)26-2)27(24,25)21-13-16-5-7-17(8-6-16)14-22-11-3-4-20(22)23/h5-10,12,21H,3-4,11,13-14H2,1-2H3
InChIKeyQFEJBOHKXPPXIT-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.60
Rot. Bonds7

About 4-methoxy-3-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide

4-methoxy-3-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide (PubChem CID 99580883) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide
PubChem CID99580883
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name4-methoxy-3-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1C
InChIInChI=1S/C20H24N2O4S/c1-15-12-18(9-10-19(15)26-2)27(24,25)21-13-16-5-7-17(8-6-16)14-22-11-3-4-20(22)23/h5-10,12,21H,3-4,11,13-14H2,1-2H3
InChIKeyQFEJBOHKXPPXIT-UHFFFAOYSA-N
XLogP2.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide
CID 53278552
4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 46767386
4-(2-methoxyethoxy)-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 55639292
5-[[(4-methoxy-3-methylphenyl)sulfonylamino]methyl]benzene-1,3-dicarboxylic acid
CID 23517612
3-chloro-4-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 17248763
3,4-dimethoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 17248759
N-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 110779808
1-[[4-[(diethylsulfamoylamino)methyl]phenyl]methyl]-2-oxopyrrolidine
CID 87033069
4-methoxy-3-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide
CID 30126227
4-methoxy-3-methyl-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide
CID 90553985
N-[(3,4-dimethoxyphenyl)methyl]-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide
CID 100556461
3-chloro-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide
CID 47062838

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide (CID 99580883) is 4-methoxy-3-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide?
The InChIKey is QFEJBOHKXPPXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15-12-18(9-10-19(15)26-2)27(24,25)21-13-16-5-7-17(8-6-16)14-22-11-3-4-20(22)23/h5-10,12,21H,3-4,11,13-14H2,1-2H3.
What are the key properties of 4-methoxy-3-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide?
4-methoxy-3-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.60, 7 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-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 99580883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).