2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C28H31N3O4S — CID 30230108

IUPAC2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(N3CCCC3=O)c2)c2cccc(C)c2C)cc1
InChIInChI=1S/C28H31N3O4S/c1-19-10-14-24(15-11-19)36(34,35)31(25-8-5-7-20(2)22(25)4)18-27(32)29-23-13-12-21(3)26(17-23)30-16-6-9-28(30)33/h5,7-8,10-15,17H,6,9,16,18H2,1-4H3,(H,29,32)
InChIKeyXLBPZUAOWGDUAY-UHFFFAOYSA-N
MW505.64 g/mol
LogP4.88
Rot. Bonds7

About 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 30230108) has the molecular formula C28H31N3O4S and a molecular weight of 505.64 g/mol. Its IUPAC name is 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID30230108
Molecular FormulaC28H31N3O4S
Molecular Weight505.64 g/mol
Exact Mass505.20
IUPAC Name2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(N3CCCC3=O)c2)c2cccc(C)c2C)cc1
InChIInChI=1S/C28H31N3O4S/c1-19-10-14-24(15-11-19)36(34,35)31(25-8-5-7-20(2)22(25)4)18-27(32)29-23-13-12-21(3)26(17-23)30-16-6-9-28(30)33/h5,7-8,10-15,17H,6,9,16,18H2,1-4H3,(H,29,32)
InChIKeyXLBPZUAOWGDUAY-UHFFFAOYSA-N
XLogP4.88
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.64
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30216324
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30243633
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30206728
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30216508
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30214973
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30210714
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30205833
N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1075763
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 53280357
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 43898177
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30250532
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxyphenyl)acetamide
CID 2175027

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 30230108) is 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(N3CCCC3=O)c2)c2cccc(C)c2C)cc1.
What is the InChIKey of 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is XLBPZUAOWGDUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4S/c1-19-10-14-24(15-11-19)36(34,35)31(25-8-5-7-20(2)22(25)4)18-27(32)29-23-13-12-21(3)26(17-23)30-16-6-9-28(30)33/h5,7-8,10-15,17H,6,9,16,18H2,1-4H3,(H,29,32).
What are the key properties of 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 505.64 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 30230108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).