N-(4-ethylphenyl)-N-(4-methylphenyl)sulfonyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

C27H31NO4S — CID 19218327

IUPACN-(4-ethylphenyl)-N-(4-methylphenyl)sulfonyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
SMILESCCc1ccc(N(C(=O)COc2ccc(C(C)C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H31NO4S/c1-6-22-9-11-23(12-10-22)28(33(30,31)25-14-7-20(4)8-15-25)27(29)18-32-24-13-16-26(19(2)3)21(5)17-24/h7-17,19H,6,18H2,1-5H3
InChIKeyDKARDBJHGXTUAO-UHFFFAOYSA-N
MW465.62 g/mol
LogP5.79
Rot. Bonds8

About N-(4-ethylphenyl)-N-(4-methylphenyl)sulfonyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

N-(4-ethylphenyl)-N-(4-methylphenyl)sulfonyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide (PubChem CID 19218327) has the molecular formula C27H31NO4S and a molecular weight of 465.62 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-(4-methylphenyl)sulfonyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-(4-methylphenyl)sulfonyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
PubChem CID19218327
Molecular FormulaC27H31NO4S
Molecular Weight465.62 g/mol
Exact Mass465.20
IUPAC NameN-(4-ethylphenyl)-N-(4-methylphenyl)sulfonyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
SMILESCCc1ccc(N(C(=O)COc2ccc(C(C)C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H31NO4S/c1-6-22-9-11-23(12-10-22)28(33(30,31)25-14-7-20(4)8-15-25)27(29)18-32-24-13-16-26(19(2)3)21(5)17-24/h7-17,19H,6,18H2,1-5H3
InChIKeyDKARDBJHGXTUAO-UHFFFAOYSA-N
XLogP5.79
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.62
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-methylphenoxy)acetamide
CID 19212677
N-(4-ethoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 19212681
N-(4-ethoxyphenyl)-2-(3-methoxyphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 19220163
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 19212810
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(4-propylphenoxy)acetamide
CID 19212877
N-(benzenesulfonyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 19212675
N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide
CID 19212618
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-(4-ethylphenoxy)acetamide
CID 19212848
2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19218121
N-(benzenesulfonyl)-2-(4-bromo-3-methylphenoxy)-N-(4-ethoxyphenyl)acetamide
CID 19217988
N-(benzenesulfonyl)-N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 19217557
N-(benzenesulfonyl)-2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)acetamide
CID 19217513

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-(4-methylphenyl)sulfonyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(4-ethylphenyl)-N-(4-methylphenyl)sulfonyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide (CID 19218327) is N-(4-ethylphenyl)-N-(4-methylphenyl)sulfonyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-N-(4-methylphenyl)sulfonyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(4-ethylphenyl)-N-(4-methylphenyl)sulfonyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide is CCc1ccc(N(C(=O)COc2ccc(C(C)C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N-(4-methylphenyl)sulfonyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The InChIKey is DKARDBJHGXTUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO4S/c1-6-22-9-11-23(12-10-22)28(33(30,31)25-14-7-20(4)8-15-25)27(29)18-32-24-13-16-26(19(2)3)21(5)17-24/h7-17,19H,6,18H2,1-5H3.
What are the key properties of N-(4-ethylphenyl)-N-(4-methylphenyl)sulfonyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
N-(4-ethylphenyl)-N-(4-methylphenyl)sulfonyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide has a molecular weight of 465.62 g/mol, XLogP of 5.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N-(4-methylphenyl)sulfonyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 19218327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).