4-oxo-N-(4-propylphenyl)-4-thiophen-2-ylbutanamide

C17H19NO2S — CID 9294245

IUPAC4-oxo-N-(4-propylphenyl)-4-thiophen-2-ylbutanamide
SMILESCCCc1ccc(NC(=O)CCC(=O)c2cccs2)cc1
InChIInChI=1S/C17H19NO2S/c1-2-4-13-6-8-14(9-7-13)18-17(20)11-10-15(19)16-5-3-12-21-16/h3,5-9,12H,2,4,10-11H2,1H3,(H,18,20)
InChIKeyWCPFNOXYLRYVPF-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.30
Rot. Bonds7

About 4-oxo-N-(4-propylphenyl)-4-thiophen-2-ylbutanamide

4-oxo-N-(4-propylphenyl)-4-thiophen-2-ylbutanamide (PubChem CID 9294245) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-oxo-N-(4-propylphenyl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound Name4-oxo-N-(4-propylphenyl)-4-thiophen-2-ylbutanamide
PubChem CID9294245
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name4-oxo-N-(4-propylphenyl)-4-thiophen-2-ylbutanamide
SMILESCCCc1ccc(NC(=O)CCC(=O)c2cccs2)cc1
InChIInChI=1S/C17H19NO2S/c1-2-4-13-6-8-14(9-7-13)18-17(20)11-10-15(19)16-5-3-12-21-16/h3,5-9,12H,2,4,10-11H2,1H3,(H,18,20)
InChIKeyWCPFNOXYLRYVPF-UHFFFAOYSA-N
XLogP4.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 954394
N-[4-(2-methylpropanoylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 26679935
N-(4-hexoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108796389
4-oxo-N-phenyl-4-(4-propylphenyl)butanamide
CID 9341017
N-ethyl-3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide
CID 17470169
methyl 4-[[4-oxo-4-(4-propylphenyl)butanoyl]amino]benzoate
CID 40724039
N-(3,4-dimethoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 26695152
N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108807727
2-hydroxy-4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzoic acid
CID 108807708
N-[3-(dimethylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108796402
N-(4-ethylphenyl)-3-thiophen-2-ylpropanamide
CID 70852355
N-[3-(methanesulfonamido)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 30806579

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(4-propylphenyl)-4-thiophen-2-ylbutanamide?
The IUPAC name of 4-oxo-N-(4-propylphenyl)-4-thiophen-2-ylbutanamide (CID 9294245) is 4-oxo-N-(4-propylphenyl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for 4-oxo-N-(4-propylphenyl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for 4-oxo-N-(4-propylphenyl)-4-thiophen-2-ylbutanamide is CCCc1ccc(NC(=O)CCC(=O)c2cccs2)cc1.
What is the InChIKey of 4-oxo-N-(4-propylphenyl)-4-thiophen-2-ylbutanamide?
The InChIKey is WCPFNOXYLRYVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-2-4-13-6-8-14(9-7-13)18-17(20)11-10-15(19)16-5-3-12-21-16/h3,5-9,12H,2,4,10-11H2,1H3,(H,18,20).
What are the key properties of 4-oxo-N-(4-propylphenyl)-4-thiophen-2-ylbutanamide?
4-oxo-N-(4-propylphenyl)-4-thiophen-2-ylbutanamide has a molecular weight of 301.41 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(4-propylphenyl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 9294245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).