4-oxo-4-(4-phenylphenyl)-N-(2-thiophen-2-ylethyl)butanamide

C22H21NO2S — CID 17449159

IUPAC4-oxo-4-(4-phenylphenyl)-N-(2-thiophen-2-ylethyl)butanamide
SMILESO=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NCCc1cccs1
InChIInChI=1S/C22H21NO2S/c24-21(12-13-22(25)23-15-14-20-7-4-16-26-20)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-11,16H,12-15H2,(H,23,25)
InChIKeyZRTHVXYNGCYQPY-UHFFFAOYSA-N
MW363.48 g/mol
LogP4.74
Rot. Bonds8

About 4-oxo-4-(4-phenylphenyl)-N-(2-thiophen-2-ylethyl)butanamide

4-oxo-4-(4-phenylphenyl)-N-(2-thiophen-2-ylethyl)butanamide (PubChem CID 17449159) has the molecular formula C22H21NO2S and a molecular weight of 363.48 g/mol. Its IUPAC name is 4-oxo-4-(4-phenylphenyl)-N-(2-thiophen-2-ylethyl)butanamide.

Molecular Properties

Compound Name4-oxo-4-(4-phenylphenyl)-N-(2-thiophen-2-ylethyl)butanamide
PubChem CID17449159
Molecular FormulaC22H21NO2S
Molecular Weight363.48 g/mol
Exact Mass363.13
IUPAC Name4-oxo-4-(4-phenylphenyl)-N-(2-thiophen-2-ylethyl)butanamide
SMILESO=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NCCc1cccs1
InChIInChI=1S/C22H21NO2S/c24-21(12-13-22(25)23-15-14-20-7-4-16-26-20)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-11,16H,12-15H2,(H,23,25)
InChIKeyZRTHVXYNGCYQPY-UHFFFAOYSA-N
XLogP4.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2-thiophen-2-ylethyl)propanamide
CID 82109303
4-(3-chlorophenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide
CID 110676338
4-hydroxy-N-(2-thiophen-2-ylethyl)butanamide
CID 13185709
N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 27770371
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
N-[3-oxo-3-(2-thiophen-2-ylethylamino)propyl]naphthalene-2-carboxamide
CID 55569040
2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)acetamide
CID 47207166
4-(3,4-dimethylphenyl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide
CID 35009611
4-oxo-4-(4-phenylphenyl)-N-(3-propan-2-yloxypropyl)butanamide
CID 17475127
5-(3-thiophen-2-ylpropanoylamino)pentanoic acid
CID 62031946
N-[3-oxo-3-(2-thiophen-2-ylethylamino)propyl]furan-3-carboxamide
CID 39931388
N-(4-azidobutyl)-4-oxo-4-(4-phenylphenyl)butanamide
CID 58554685

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(4-phenylphenyl)-N-(2-thiophen-2-ylethyl)butanamide?
The IUPAC name of 4-oxo-4-(4-phenylphenyl)-N-(2-thiophen-2-ylethyl)butanamide (CID 17449159) is 4-oxo-4-(4-phenylphenyl)-N-(2-thiophen-2-ylethyl)butanamide.
What is the SMILES notation for 4-oxo-4-(4-phenylphenyl)-N-(2-thiophen-2-ylethyl)butanamide?
The canonical SMILES for 4-oxo-4-(4-phenylphenyl)-N-(2-thiophen-2-ylethyl)butanamide is O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NCCc1cccs1.
What is the InChIKey of 4-oxo-4-(4-phenylphenyl)-N-(2-thiophen-2-ylethyl)butanamide?
The InChIKey is ZRTHVXYNGCYQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2S/c24-21(12-13-22(25)23-15-14-20-7-4-16-26-20)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-11,16H,12-15H2,(H,23,25).
What are the key properties of 4-oxo-4-(4-phenylphenyl)-N-(2-thiophen-2-ylethyl)butanamide?
4-oxo-4-(4-phenylphenyl)-N-(2-thiophen-2-ylethyl)butanamide has a molecular weight of 363.48 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(4-phenylphenyl)-N-(2-thiophen-2-ylethyl)butanamide is sourced from PubChem (CID 17449159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).