2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C27H28FN3O5S — CID 30250532

IUPAC2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(N3CCCC3=O)c2)c2ccc(F)cc2)cc1
InChIInChI=1S/C27H28FN3O5S/c1-3-36-23-12-14-24(15-13-23)37(34,35)31(22-10-7-20(28)8-11-22)18-26(32)29-21-9-6-19(2)25(17-21)30-16-4-5-27(30)33/h6-15,17H,3-5,16,18H2,1-2H3,(H,29,32)
InChIKeyAASKRFSVVCDEIP-UHFFFAOYSA-N
MW525.60 g/mol
LogP4.49
Rot. Bonds9

About 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 30250532) has the molecular formula C27H28FN3O5S and a molecular weight of 525.60 g/mol. Its IUPAC name is 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID30250532
Molecular FormulaC27H28FN3O5S
Molecular Weight525.60 g/mol
Exact Mass525.17
IUPAC Name2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(N3CCCC3=O)c2)c2ccc(F)cc2)cc1
InChIInChI=1S/C27H28FN3O5S/c1-3-36-23-12-14-24(15-13-23)37(34,35)31(22-10-7-20(28)8-11-22)18-26(32)29-21-9-6-19(2)25(17-21)30-16-4-5-27(30)33/h6-15,17H,3-5,16,18H2,1-2H3,(H,29,32)
InChIKeyAASKRFSVVCDEIP-UHFFFAOYSA-N
XLogP4.49
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.60
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30205833
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30215188
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 43898177
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30243633
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30275389
N-(4-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 978482
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 30250515
2-(4-fluoro-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30222006
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-naphthalen-2-ylacetamide
CID 126387449
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 3563496
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4551871
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 43893136

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 30250532) is 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(N3CCCC3=O)c2)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is AASKRFSVVCDEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O5S/c1-3-36-23-12-14-24(15-13-23)37(34,35)31(22-10-7-20(28)8-11-22)18-26(32)29-21-9-6-19(2)25(17-21)30-16-4-5-27(30)33/h6-15,17H,3-5,16,18H2,1-2H3,(H,29,32).
What are the key properties of 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 525.60 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 30250532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).