2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide

C28H34N2O3S — CID 133217749

IUPAC2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
SMILESCCc1ccccc1N(CC(=O)NC(C)c1cc(C)c(C)cc1C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C28H34N2O3S/c1-7-24-10-8-9-11-27(24)30(34(32,33)25-14-12-19(2)13-15-25)18-28(31)29-23(6)26-17-21(4)20(3)16-22(26)5/h8-17,23H,7,18H2,1-6H3,(H,29,31)
InChIKeyRBEAAAOPVXUAPU-UHFFFAOYSA-N
MW478.66 g/mol
LogP5.56
Rot. Bonds8

About 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide

2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide (PubChem CID 133217749) has the molecular formula C28H34N2O3S and a molecular weight of 478.66 g/mol. Its IUPAC name is 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
PubChem CID133217749
Molecular FormulaC28H34N2O3S
Molecular Weight478.66 g/mol
Exact Mass478.23
IUPAC Name2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
SMILESCCc1ccccc1N(CC(=O)NC(C)c1cc(C)c(C)cc1C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C28H34N2O3S/c1-7-24-10-8-9-11-27(24)30(34(32,33)25-14-12-19(2)13-15-25)18-28(31)29-23(6)26-17-21(4)20(3)16-22(26)5/h8-17,23H,7,18H2,1-6H3,(H,29,31)
InChIKeyRBEAAAOPVXUAPU-UHFFFAOYSA-N
XLogP5.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.66
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133217751
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133217702
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 28578106
2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401203
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133217826
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 30212055
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 1337255
N-[(2R)-butan-2-yl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 7441929
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 30251011
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 92682945
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 30303921
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125058105

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide (CID 133217749) is 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide is CCc1ccccc1N(CC(=O)NC(C)c1cc(C)c(C)cc1C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The InChIKey is RBEAAAOPVXUAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3S/c1-7-24-10-8-9-11-27(24)30(34(32,33)25-14-12-19(2)13-15-25)18-28(31)29-23(6)26-17-21(4)20(3)16-22(26)5/h8-17,23H,7,18H2,1-6H3,(H,29,31).
What are the key properties of 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide has a molecular weight of 478.66 g/mol, XLogP of 5.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 133217749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).