5-methylsulfanyl-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C11H14F3NO3S3 — CID 3858939

IUPAC5-methylsulfanyl-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCCCS(=O)(=O)N(CC(F)(F)F)C(=O)c1ccc(SC)s1
InChIInChI=1S/C11H14F3NO3S3/c1-3-6-21(17,18)15(7-11(12,13)14)10(16)8-4-5-9(19-2)20-8/h4-5H,3,6-7H2,1-2H3
InChIKeyRGCWIUBRQXZSDR-UHFFFAOYSA-N
MW361.43 g/mol
LogP3.21
Rot. Bonds6

About 5-methylsulfanyl-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

5-methylsulfanyl-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 3858939) has the molecular formula C11H14F3NO3S3 and a molecular weight of 361.43 g/mol. Its IUPAC name is 5-methylsulfanyl-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methylsulfanyl-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID3858939
Molecular FormulaC11H14F3NO3S3
Molecular Weight361.43 g/mol
Exact Mass361.01
IUPAC Name5-methylsulfanyl-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCCCS(=O)(=O)N(CC(F)(F)F)C(=O)c1ccc(SC)s1
InChIInChI=1S/C11H14F3NO3S3/c1-3-6-21(17,18)15(7-11(12,13)14)10(16)8-4-5-9(19-2)20-8/h4-5H,3,6-7H2,1-2H3
InChIKeyRGCWIUBRQXZSDR-UHFFFAOYSA-N
XLogP3.21
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 5-methylsulfanyl-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 3858939) is 5-methylsulfanyl-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-methylsulfanyl-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-methylsulfanyl-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is CCCS(=O)(=O)N(CC(F)(F)F)C(=O)c1ccc(SC)s1.
What is the InChIKey of 5-methylsulfanyl-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is RGCWIUBRQXZSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3S3/c1-3-6-21(17,18)15(7-11(12,13)14)10(16)8-4-5-9(19-2)20-8/h4-5H,3,6-7H2,1-2H3.
What are the key properties of 5-methylsulfanyl-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
5-methylsulfanyl-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 361.43 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 3858939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).