2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxamide

C15H15FN2O2S2 — CID 7287184

IUPAC2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)CSc2ccc(F)cc2)c(C(N)=O)c1C
InChIInChI=1S/C15H15FN2O2S2/c1-8-9(2)22-15(13(8)14(17)20)18-12(19)7-21-11-5-3-10(16)4-6-11/h3-6H,7H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyUELPCAHFZCWMJI-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.33
Rot. Bonds5

About 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxamide

2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 7287184) has the molecular formula C15H15FN2O2S2 and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID7287184
Molecular FormulaC15H15FN2O2S2
Molecular Weight338.43 g/mol
Exact Mass338.06
IUPAC Name2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)CSc2ccc(F)cc2)c(C(N)=O)c1C
InChIInChI=1S/C15H15FN2O2S2/c1-8-9(2)22-15(13(8)14(17)20)18-12(19)7-21-11-5-3-10(16)4-6-11/h3-6H,7H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyUELPCAHFZCWMJI-UHFFFAOYSA-N
XLogP3.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxamide (CID 7287184) is 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxamide is Cc1sc(NC(=O)CSc2ccc(F)cc2)c(C(N)=O)c1C.
What is the InChIKey of 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is UELPCAHFZCWMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S2/c1-8-9(2)22-15(13(8)14(17)20)18-12(19)7-21-11-5-3-10(16)4-6-11/h3-6H,7H2,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 7287184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).