5-[(4-fluorophenyl)methyl]-2-(3-oxobutan-2-ylamino)thiophene-3-carboxamide

C16H17FN2O2S — CID 123182132

IUPAC5-[(4-fluorophenyl)methyl]-2-(3-oxobutan-2-ylamino)thiophene-3-carboxamide
SMILESCC(=O)C(C)Nc1sc(Cc2ccc(F)cc2)cc1C(N)=O
InChIInChI=1S/C16H17FN2O2S/c1-9(10(2)20)19-16-14(15(18)21)8-13(22-16)7-11-3-5-12(17)6-4-11/h3-6,8-9,19H,7H2,1-2H3,(H2,18,21)
InChIKeyCEEJFNBSQREURE-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.97
Rot. Bonds6

About 5-[(4-fluorophenyl)methyl]-2-(3-oxobutan-2-ylamino)thiophene-3-carboxamide

5-[(4-fluorophenyl)methyl]-2-(3-oxobutan-2-ylamino)thiophene-3-carboxamide (PubChem CID 123182132) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-2-(3-oxobutan-2-ylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-2-(3-oxobutan-2-ylamino)thiophene-3-carboxamide
PubChem CID123182132
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC Name5-[(4-fluorophenyl)methyl]-2-(3-oxobutan-2-ylamino)thiophene-3-carboxamide
SMILESCC(=O)C(C)Nc1sc(Cc2ccc(F)cc2)cc1C(N)=O
InChIInChI=1S/C16H17FN2O2S/c1-9(10(2)20)19-16-14(15(18)21)8-13(22-16)7-11-3-5-12(17)6-4-11/h3-6,8-9,19H,7H2,1-2H3,(H2,18,21)
InChIKeyCEEJFNBSQREURE-UHFFFAOYSA-N
XLogP2.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-2-(3-oxobutan-2-ylamino)thiophene-3-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-2-(3-oxobutan-2-ylamino)thiophene-3-carboxamide (CID 123182132) is 5-[(4-fluorophenyl)methyl]-2-(3-oxobutan-2-ylamino)thiophene-3-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-2-(3-oxobutan-2-ylamino)thiophene-3-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-2-(3-oxobutan-2-ylamino)thiophene-3-carboxamide is CC(=O)C(C)Nc1sc(Cc2ccc(F)cc2)cc1C(N)=O.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-2-(3-oxobutan-2-ylamino)thiophene-3-carboxamide?
The InChIKey is CEEJFNBSQREURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c1-9(10(2)20)19-16-14(15(18)21)8-13(22-16)7-11-3-5-12(17)6-4-11/h3-6,8-9,19H,7H2,1-2H3,(H2,18,21).
What are the key properties of 5-[(4-fluorophenyl)methyl]-2-(3-oxobutan-2-ylamino)thiophene-3-carboxamide?
5-[(4-fluorophenyl)methyl]-2-(3-oxobutan-2-ylamino)thiophene-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-2-(3-oxobutan-2-ylamino)thiophene-3-carboxamide is sourced from PubChem (CID 123182132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).