4-methoxy-2,5-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide

C20H24N2O4S — CID 94638093

IUPAC4-methoxy-2,5-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCc2cccc(N3CCCC3=O)c2)cc1C
InChIInChI=1S/C20H24N2O4S/c1-14-11-19(15(2)10-18(14)26-3)27(24,25)21-13-16-6-4-7-17(12-16)22-9-5-8-20(22)23/h4,6-7,10-12,21H,5,8-9,13H2,1-3H3
InChIKeyKDVKMHWHGRZOFL-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.92
Rot. Bonds6

About 4-methoxy-2,5-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide

4-methoxy-2,5-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 94638093) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-methoxy-2,5-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,5-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
PubChem CID94638093
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name4-methoxy-2,5-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCc2cccc(N3CCCC3=O)c2)cc1C
InChIInChI=1S/C20H24N2O4S/c1-14-11-19(15(2)10-18(14)26-3)27(24,25)21-13-16-6-4-7-17(12-16)22-9-5-8-20(22)23/h4,6-7,10-12,21H,5,8-9,13H2,1-3H3
InChIKeyKDVKMHWHGRZOFL-UHFFFAOYSA-N
XLogP2.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635954
2,5-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 39667551
2-methoxy-N-[(4-methoxyphenyl)methyl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110295654
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 94633814
3-(4-methoxy-3-methylphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 100526543
4-nitro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 39667571
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one
CID 88577305
1-[3-(methoxymethyl)phenyl]pyrrolidin-2-one
CID 58826741
1-[3-(methylaminomethyl)phenyl]piperidin-2-one
CID 63272190
N-[5-[[3-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 100576928
1-[3-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]pyrrolidin-2-one
CID 133482001

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2,5-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide (CID 94638093) is 4-methoxy-2,5-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,5-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,5-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)NCc2cccc(N3CCCC3=O)c2)cc1C.
What is the InChIKey of 4-methoxy-2,5-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is KDVKMHWHGRZOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-14-11-19(15(2)10-18(14)26-3)27(24,25)21-13-16-6-4-7-17(12-16)22-9-5-8-20(22)23/h4,6-7,10-12,21H,5,8-9,13H2,1-3H3.
What are the key properties of 4-methoxy-2,5-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide?
4-methoxy-2,5-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,5-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 94638093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).