4-acetyl-N-[4-(4-fluorophenyl)-4-oxobutan-2-yl]thiophene-2-carboxamide

C17H16FNO3S — CID 75437787

IUPAC4-acetyl-N-[4-(4-fluorophenyl)-4-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCC(=O)c1csc(C(=O)NC(C)CC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H16FNO3S/c1-10(7-15(21)12-3-5-14(18)6-4-12)19-17(22)16-8-13(9-23-16)11(2)20/h3-6,8-10H,7H2,1-2H3,(H,19,22)
InChIKeyOHMZYNZMEYZQOG-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.48
Rot. Bonds6

About 4-acetyl-N-[4-(4-fluorophenyl)-4-oxobutan-2-yl]thiophene-2-carboxamide

4-acetyl-N-[4-(4-fluorophenyl)-4-oxobutan-2-yl]thiophene-2-carboxamide (PubChem CID 75437787) has the molecular formula C17H16FNO3S and a molecular weight of 333.38 g/mol. Its IUPAC name is 4-acetyl-N-[4-(4-fluorophenyl)-4-oxobutan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[4-(4-fluorophenyl)-4-oxobutan-2-yl]thiophene-2-carboxamide
PubChem CID75437787
Molecular FormulaC17H16FNO3S
Molecular Weight333.38 g/mol
Exact Mass333.08
IUPAC Name4-acetyl-N-[4-(4-fluorophenyl)-4-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCC(=O)c1csc(C(=O)NC(C)CC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H16FNO3S/c1-10(7-15(21)12-3-5-14(18)6-4-12)19-17(22)16-8-13(9-23-16)11(2)20/h3-6,8-10H,7H2,1-2H3,(H,19,22)
InChIKeyOHMZYNZMEYZQOG-UHFFFAOYSA-N
XLogP3.48
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-acetyl-N-[4-(4-fluorophenyl)-4-oxobutan-2-yl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-fluorophenyl)-4-oxobutan-2-yl]thiadiazole-4-carboxamide
CID 75437795
4-acetyl-N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]thiophene-2-carboxamide
CID 97228132
4-acetyl-N-[(2S)-1-hydroxybutan-2-yl]thiophene-2-carboxamide
CID 97340263
3-[(4-fluorobenzoyl)amino]butanoic acid
CID 43240591
(2R)-2-[(4-acetylthiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 119364770
N-[4-(4-fluorophenyl)-4-oxobutan-2-yl]-1-methylbenzotriazole-5-carboxamide
CID 75437762
5-acetyl-N-[(1R)-1-(4-fluorophenyl)propyl]thiophene-3-carboxamide
CID 51498385
N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 124614619
N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 97331214
N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 97331216
N-(4-oxo-4-phenylbutan-2-yl)benzamide
CID 15430092
4-acetyl-N-(1-amino-2-methylpropan-2-yl)thiophene-2-carboxamide
CID 119521663

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[4-(4-fluorophenyl)-4-oxobutan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 4-acetyl-N-[4-(4-fluorophenyl)-4-oxobutan-2-yl]thiophene-2-carboxamide (CID 75437787) is 4-acetyl-N-[4-(4-fluorophenyl)-4-oxobutan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[4-(4-fluorophenyl)-4-oxobutan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[4-(4-fluorophenyl)-4-oxobutan-2-yl]thiophene-2-carboxamide is CC(=O)c1csc(C(=O)NC(C)CC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 4-acetyl-N-[4-(4-fluorophenyl)-4-oxobutan-2-yl]thiophene-2-carboxamide?
The InChIKey is OHMZYNZMEYZQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3S/c1-10(7-15(21)12-3-5-14(18)6-4-12)19-17(22)16-8-13(9-23-16)11(2)20/h3-6,8-10H,7H2,1-2H3,(H,19,22).
What are the key properties of 4-acetyl-N-[4-(4-fluorophenyl)-4-oxobutan-2-yl]thiophene-2-carboxamide?
4-acetyl-N-[4-(4-fluorophenyl)-4-oxobutan-2-yl]thiophene-2-carboxamide has a molecular weight of 333.38 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[4-(4-fluorophenyl)-4-oxobutan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 75437787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).