N-(4-benzoyl-3-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide

C29H25NO4S — CID 71285888

IUPACN-(4-benzoyl-3-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(=O)c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C29H25NO4S/c1-2-35(33,34)25-16-13-21(14-17-25)19-28(31)30-24-15-18-26(29(32)23-11-7-4-8-12-23)27(20-24)22-9-5-3-6-10-22/h3-18,20H,2,19H2,1H3,(H,30,31)
InChIKeyYUIHBDFCFURZDH-UHFFFAOYSA-N
MW483.59 g/mol
LogP5.56
Rot. Bonds8

About N-(4-benzoyl-3-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide

N-(4-benzoyl-3-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 71285888) has the molecular formula C29H25NO4S and a molecular weight of 483.59 g/mol. Its IUPAC name is N-(4-benzoyl-3-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-benzoyl-3-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide
PubChem CID71285888
Molecular FormulaC29H25NO4S
Molecular Weight483.59 g/mol
Exact Mass483.15
IUPAC NameN-(4-benzoyl-3-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(=O)c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C29H25NO4S/c1-2-35(33,34)25-16-13-21(14-17-25)19-28(31)30-24-15-18-26(29(32)23-11-7-4-8-12-23)27(20-24)22-9-5-3-6-10-22/h3-18,20H,2,19H2,1H3,(H,30,31)
InChIKeyYUIHBDFCFURZDH-UHFFFAOYSA-N
XLogP5.56
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.59
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-benzoyl-4-bromophenyl)-2-(4-ethylsulfonylphenyl)acetamide
CID 71285923
2-(4-ethylsulfonylphenyl)-N-[3-(6-methylcyclohexa-2,4-diene-1-carbonyl)-4-phenylphenyl]acetamide
CID 144540045
N-(4-chloro-3-pyridin-4-ylphenyl)-2-(4-ethylsulfonylphenyl)acetamide
CID 71285892
N-[3-benzoyl-5-(2,4-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71285899
N-[4-(3-chlorophenyl)-3-phenoxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 72545950
2-(4-ethylsulfonylphenyl)-N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]acetamide
CID 72548784
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 135760548
N-[4-(3-chlorophenyl)-3-(2-fluorophenoxy)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 72544310
N-[4-chloro-3-(1-methylpyrazol-4-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71289968
2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide
CID 18587060
2-(4-ethylsulfonylphenyl)-N-[3-pyridin-2-yl-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 71285897
N-(3-acetylphenyl)-2-(4-phenylphenyl)acetamide
CID 972684

Frequently Asked Questions

What is the IUPAC name of N-(4-benzoyl-3-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-(4-benzoyl-3-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide (CID 71285888) is N-(4-benzoyl-3-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(4-benzoyl-3-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-(4-benzoyl-3-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(=O)c3ccccc3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-(4-benzoyl-3-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is YUIHBDFCFURZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO4S/c1-2-35(33,34)25-16-13-21(14-17-25)19-28(31)30-24-15-18-26(29(32)23-11-7-4-8-12-23)27(20-24)22-9-5-3-6-10-22/h3-18,20H,2,19H2,1H3,(H,30,31).
What are the key properties of N-(4-benzoyl-3-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide?
N-(4-benzoyl-3-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 483.59 g/mol, XLogP of 5.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzoyl-3-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 71285888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).