2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide

C25H28N2O4S — CID 133185344

IUPAC2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)NCC(C)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-3-31-23-14-16-24(17-15-23)32(29,30)27(22-12-8-5-9-13-22)19-25(28)26-18-20(2)21-10-6-4-7-11-21/h4-17,20H,3,18-19H2,1-2H3,(H,26,28)
InChIKeyAFUZXXWRPRIAQS-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.20
Rot. Bonds10

About 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide

2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide (PubChem CID 133185344) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide
PubChem CID133185344
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)NCC(C)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-3-31-23-14-16-24(17-15-23)32(29,30)27(22-12-8-5-9-13-22)19-25(28)26-18-20(2)21-10-6-4-7-11-21/h4-17,20H,3,18-19H2,1-2H3,(H,26,28)
InChIKeyAFUZXXWRPRIAQS-UHFFFAOYSA-N
XLogP4.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 133229072
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125057159
N-benzyl-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 6620763
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(2-phenylpropyl)acetamide
CID 133244625
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 30377521
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125058135
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125058144
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125057166
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1316008
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125058021
2-[[2-(N-(4-ethoxyphenyl)sulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126121089
N-[(4-chlorophenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 1311358

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide?
The IUPAC name of 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide (CID 133185344) is 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)NCC(C)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide?
The InChIKey is AFUZXXWRPRIAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-3-31-23-14-16-24(17-15-23)32(29,30)27(22-12-8-5-9-13-22)19-25(28)26-18-20(2)21-10-6-4-7-11-21/h4-17,20H,3,18-19H2,1-2H3,(H,26,28).
What are the key properties of 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide?
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide has a molecular weight of 452.58 g/mol, XLogP of 4.20, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide is sourced from PubChem (CID 133185344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).