N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide

C20H24N2O5S — CID 71838519

IUPACN-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC2CCN(c3cc(C)cc(C)c3)C2=O)c1
InChIInChI=1S/C20H24N2O5S/c1-13-9-14(2)11-15(10-13)22-8-7-17(20(22)23)21-28(24,25)19-12-16(26-3)5-6-18(19)27-4/h5-6,9-12,17,21H,7-8H2,1-4H3
InChIKeyLHYVDACOSNRQBJ-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.40
Rot. Bonds6

About N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide

N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 71838519) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide
PubChem CID71838519
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC NameN-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC2CCN(c3cc(C)cc(C)c3)C2=O)c1
InChIInChI=1S/C20H24N2O5S/c1-13-9-14(2)11-15(10-13)22-8-7-17(20(22)23)21-28(24,25)19-12-16(26-3)5-6-18(19)27-4/h5-6,9-12,17,21H,7-8H2,1-4H3
InChIKeyLHYVDACOSNRQBJ-UHFFFAOYSA-N
XLogP2.40
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide (CID 71838519) is N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NC2CCN(c3cc(C)cc(C)c3)C2=O)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is LHYVDACOSNRQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-13-9-14(2)11-15(10-13)22-8-7-17(20(22)23)21-28(24,25)19-12-16(26-3)5-6-18(19)27-4/h5-6,9-12,17,21H,7-8H2,1-4H3.
What are the key properties of N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide?
N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 404.49 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 71838519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).