2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide

C26H30N2O6S2 — CID 43892569

IUPAC2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
SMILESCCOc1ccc(N(CC(=O)NC(CC)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H30N2O6S2/c1-4-25(20-11-17-23(18-12-20)35(3,30)31)27-26(29)19-28(21-13-15-22(16-14-21)34-5-2)36(32,33)24-9-7-6-8-10-24/h6-18,25H,4-5,19H2,1-3H3,(H,27,29)
InChIKeyFJXLCIXPBDFMTH-UHFFFAOYSA-N
MW530.67 g/mol
LogP3.95
Rot. Bonds11

About 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide

2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide (PubChem CID 43892569) has the molecular formula C26H30N2O6S2 and a molecular weight of 530.67 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
PubChem CID43892569
Molecular FormulaC26H30N2O6S2
Molecular Weight530.67 g/mol
Exact Mass530.15
IUPAC Name2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
SMILESCCOc1ccc(N(CC(=O)NC(CC)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H30N2O6S2/c1-4-25(20-11-17-23(18-12-20)35(3,30)31)27-26(29)19-28(21-13-15-22(16-14-21)34-5-2)36(32,33)24-9-7-6-8-10-24/h6-18,25H,4-5,19H2,1-3H3,(H,27,29)
InChIKeyFJXLCIXPBDFMTH-UHFFFAOYSA-N
XLogP3.95
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.67
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 30304440
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide
CID 92672306
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 30306794
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 28574516
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(1-phenylpropyl)acetamide
CID 53280344
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
CID 43901748
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43885576
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 125084422
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 94863870
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43898778
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(1-phenylpropyl)acetamide
CID 43901870
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28631808

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide (CID 43892569) is 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide is CCOc1ccc(N(CC(=O)NC(CC)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide?
The InChIKey is FJXLCIXPBDFMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O6S2/c1-4-25(20-11-17-23(18-12-20)35(3,30)31)27-26(29)19-28(21-13-15-22(16-14-21)34-5-2)36(32,33)24-9-7-6-8-10-24/h6-18,25H,4-5,19H2,1-3H3,(H,27,29).
What are the key properties of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide?
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide has a molecular weight of 530.67 g/mol, XLogP of 3.95, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide is sourced from PubChem (CID 43892569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).