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

C25H28N2O6S2 — CID 30203381

IUPAC2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H28N2O6S2/c1-4-33-24-13-9-8-12-23(24)27(35(31,32)22-10-6-5-7-11-22)18-25(28)26-19(2)20-14-16-21(17-15-20)34(3,29)30/h5-17,19H,4,18H2,1-3H3,(H,26,28)/t19-/m1/s1
InChIKeySCNKXERWHPTTQV-LJQANCHMSA-N
MW516.64 g/mol
LogP3.56
Rot. Bonds10

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

2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide (PubChem CID 30203381) has the molecular formula C25H28N2O6S2 and a molecular weight of 516.64 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
PubChem CID30203381
Molecular FormulaC25H28N2O6S2
Molecular Weight516.64 g/mol
Exact Mass516.14
IUPAC Name2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H28N2O6S2/c1-4-33-24-13-9-8-12-23(24)27(35(31,32)22-10-6-5-7-11-22)18-25(28)26-19(2)20-14-16-21(17-15-20)34(3,29)30/h5-17,19H,4,18H2,1-3H3,(H,26,28)/t19-/m1/s1
InChIKeySCNKXERWHPTTQV-LJQANCHMSA-N
XLogP3.56
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.64
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 30306723
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 2232163
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92681102
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 99950083
4-(2-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 133165754
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 92677634
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[1-(4-methylphenyl)propyl]acetamide
CID 43901964
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43902149
N-butan-2-yl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 3139202
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 43886231
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30215942
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43892979

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide (CID 30203381) is 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide is CCOc1ccccc1N(CC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide?
The InChIKey is SCNKXERWHPTTQV-LJQANCHMSA-N. The full InChI is InChI=1S/C25H28N2O6S2/c1-4-33-24-13-9-8-12-23(24)27(35(31,32)22-10-6-5-7-11-22)18-25(28)26-19(2)20-14-16-21(17-15-20)34(3,29)30/h5-17,19H,4,18H2,1-3H3,(H,26,28)/t19-/m1/s1.
What are the key properties of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide?
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide has a molecular weight of 516.64 g/mol, XLogP of 3.56, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide is sourced from PubChem (CID 30203381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).