N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(2-phenylphenoxy)acetamide

C28H25NO4S — CID 19219400

IUPACN-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(2-phenylphenoxy)acetamide
SMILESCCc1ccc(N(C(=O)COc2ccccc2-c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C28H25NO4S/c1-2-22-17-19-24(20-18-22)29(34(31,32)25-13-7-4-8-14-25)28(30)21-33-27-16-10-9-15-26(27)23-11-5-3-6-12-23/h3-20H,2,21H2,1H3
InChIKeyPEKHSKCQNZOSBC-UHFFFAOYSA-N
MW471.58 g/mol
LogP5.72
Rot. Bonds8

About N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(2-phenylphenoxy)acetamide

N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(2-phenylphenoxy)acetamide (PubChem CID 19219400) has the molecular formula C28H25NO4S and a molecular weight of 471.58 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(2-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(2-phenylphenoxy)acetamide
PubChem CID19219400
Molecular FormulaC28H25NO4S
Molecular Weight471.58 g/mol
Exact Mass471.15
IUPAC NameN-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(2-phenylphenoxy)acetamide
SMILESCCc1ccc(N(C(=O)COc2ccccc2-c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C28H25NO4S/c1-2-22-17-19-24(20-18-22)29(34(31,32)25-13-7-4-8-14-25)28(30)21-33-27-16-10-9-15-26(27)23-11-5-3-6-12-23/h3-20H,2,21H2,1H3
InChIKeyPEKHSKCQNZOSBC-UHFFFAOYSA-N
XLogP5.72
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.58
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-ethylphenyl)acetamide
CID 19219981
N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-methylphenoxy)acetamide
CID 19212677
N-(benzenesulfonyl)-2-(2-bromo-4-propylphenoxy)-N-(4-ethylphenyl)acetamide
CID 19219946
N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-nitrophenoxy)acetamide
CID 19217380
N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19219983
N-(benzenesulfonyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 19212675
2-(2-methoxyphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 1283700
N-(benzenesulfonyl)-N-(4-ethylphenyl)-3,4,5-trimethoxybenzamide
CID 19210874
N-(benzenesulfonyl)-2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19218157
N-(benzenesulfonyl)-2-(4-bromo-2-ethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19219764
2-(2-methoxyphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide
CID 19217917
N-(benzenesulfonyl)-4-(2,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 19218970

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(2-phenylphenoxy)acetamide?
The IUPAC name of N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(2-phenylphenoxy)acetamide (CID 19219400) is N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(2-phenylphenoxy)acetamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(2-phenylphenoxy)acetamide?
The canonical SMILES for N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(2-phenylphenoxy)acetamide is CCc1ccc(N(C(=O)COc2ccccc2-c2ccccc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(2-phenylphenoxy)acetamide?
The InChIKey is PEKHSKCQNZOSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO4S/c1-2-22-17-19-24(20-18-22)29(34(31,32)25-13-7-4-8-14-25)28(30)21-33-27-16-10-9-15-26(27)23-11-5-3-6-12-23/h3-20H,2,21H2,1H3.
What are the key properties of N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(2-phenylphenoxy)acetamide?
N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(2-phenylphenoxy)acetamide has a molecular weight of 471.58 g/mol, XLogP of 5.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(2-phenylphenoxy)acetamide is sourced from PubChem (CID 19219400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).