5-acetyl-N-[(1R)-1-(4-fluorophenyl)propyl]thiophene-3-carboxamide

C16H16FNO2S — CID 51498385

IUPAC5-acetyl-N-[(1R)-1-(4-fluorophenyl)propyl]thiophene-3-carboxamide
SMILESCC[C@@H](NC(=O)c1csc(C(C)=O)c1)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO2S/c1-3-14(11-4-6-13(17)7-5-11)18-16(20)12-8-15(10(2)19)21-9-12/h4-9,14H,3H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyMGBSOMUAPFLFAR-CQSZACIVSA-N
MW305.37 g/mol
LogP3.97
Rot. Bonds5

About 5-acetyl-N-[(1R)-1-(4-fluorophenyl)propyl]thiophene-3-carboxamide

5-acetyl-N-[(1R)-1-(4-fluorophenyl)propyl]thiophene-3-carboxamide (PubChem CID 51498385) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is 5-acetyl-N-[(1R)-1-(4-fluorophenyl)propyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[(1R)-1-(4-fluorophenyl)propyl]thiophene-3-carboxamide
PubChem CID51498385
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name5-acetyl-N-[(1R)-1-(4-fluorophenyl)propyl]thiophene-3-carboxamide
SMILESCC[C@@H](NC(=O)c1csc(C(C)=O)c1)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO2S/c1-3-14(11-4-6-13(17)7-5-11)18-16(20)12-8-15(10(2)19)21-9-12/h4-9,14H,3H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyMGBSOMUAPFLFAR-CQSZACIVSA-N
XLogP3.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115
5-acetyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]thiophene-3-carboxamide
CID 16677420
3,4,5-trifluoro-N-(1-phenylpropyl)benzamide
CID 63189526
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
5-acetyl-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]thiophene-3-carboxamide
CID 99939338
4-acetyl-N-[4-(4-fluorophenyl)-4-oxobutan-2-yl]thiophene-2-carboxamide
CID 75437787
N-[1-(4-fluorophenyl)ethyl]-5-iodothiophene-3-carboxamide
CID 78948691
3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide
CID 107980228
(3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid
CID 717556
4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146
5-acetyl-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]thiophene-3-carboxamide
CID 51498143
5-bromo-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]thiophene-3-carboxamide
CID 63524941

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[(1R)-1-(4-fluorophenyl)propyl]thiophene-3-carboxamide?
The IUPAC name of 5-acetyl-N-[(1R)-1-(4-fluorophenyl)propyl]thiophene-3-carboxamide (CID 51498385) is 5-acetyl-N-[(1R)-1-(4-fluorophenyl)propyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-acetyl-N-[(1R)-1-(4-fluorophenyl)propyl]thiophene-3-carboxamide?
The canonical SMILES for 5-acetyl-N-[(1R)-1-(4-fluorophenyl)propyl]thiophene-3-carboxamide is CC[C@@H](NC(=O)c1csc(C(C)=O)c1)c1ccc(F)cc1.
What is the InChIKey of 5-acetyl-N-[(1R)-1-(4-fluorophenyl)propyl]thiophene-3-carboxamide?
The InChIKey is MGBSOMUAPFLFAR-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-3-14(11-4-6-13(17)7-5-11)18-16(20)12-8-15(10(2)19)21-9-12/h4-9,14H,3H2,1-2H3,(H,18,20)/t14-/m1/s1.
What are the key properties of 5-acetyl-N-[(1R)-1-(4-fluorophenyl)propyl]thiophene-3-carboxamide?
5-acetyl-N-[(1R)-1-(4-fluorophenyl)propyl]thiophene-3-carboxamide has a molecular weight of 305.37 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[(1R)-1-(4-fluorophenyl)propyl]thiophene-3-carboxamide is sourced from PubChem (CID 51498385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).