2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C27H29N3O6S — CID 30243633

IUPAC2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(N3CCCC3=O)c2)c2ccccc2OC)cc1
InChIInChI=1S/C27H29N3O6S/c1-19-10-11-20(17-24(19)29-16-6-9-27(29)32)28-26(31)18-30(23-7-4-5-8-25(23)36-3)37(33,34)22-14-12-21(35-2)13-15-22/h4-5,7-8,10-15,17H,6,9,16,18H2,1-3H3,(H,28,31)
InChIKeyKGHPQFUFHWNXLF-UHFFFAOYSA-N
MW523.61 g/mol
LogP3.97
Rot. Bonds9

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

2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 30243633) has the molecular formula C27H29N3O6S and a molecular weight of 523.61 g/mol. Its IUPAC name is 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID30243633
Molecular FormulaC27H29N3O6S
Molecular Weight523.61 g/mol
Exact Mass523.18
IUPAC Name2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(N3CCCC3=O)c2)c2ccccc2OC)cc1
InChIInChI=1S/C27H29N3O6S/c1-19-10-11-20(17-24(19)29-16-6-9-27(29)32)28-26(31)18-30(23-7-4-5-8-25(23)36-3)37(33,34)22-14-12-21(35-2)13-15-22/h4-5,7-8,10-15,17H,6,9,16,18H2,1-3H3,(H,28,31)
InChIKeyKGHPQFUFHWNXLF-UHFFFAOYSA-N
XLogP3.97
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.61
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
N-(3,4-dimethylphenyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53280522
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30230108
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 43893136
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30206728
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 43898177
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30205833
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30214973
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30250532
N-(3,5-dimethylphenyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 23911004
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30210714
N-(3-chlorophenyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126031125

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 30243633) is 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(N3CCCC3=O)c2)c2ccccc2OC)cc1.
What is the InChIKey of 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is KGHPQFUFHWNXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O6S/c1-19-10-11-20(17-24(19)29-16-6-9-27(29)32)28-26(31)18-30(23-7-4-5-8-25(23)36-3)37(33,34)22-14-12-21(35-2)13-15-22/h4-5,7-8,10-15,17H,6,9,16,18H2,1-3H3,(H,28,31).
What are the key properties of 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 523.61 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 30243633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).