3-(4-chlorophenyl)-5-methylsulfanyl-N-propan-2-ylthiophene-2-carboxamide

C15H16ClNOS2 — CID 2767956

IUPAC3-(4-chlorophenyl)-5-methylsulfanyl-N-propan-2-ylthiophene-2-carboxamide
SMILESCSc1cc(-c2ccc(Cl)cc2)c(C(=O)NC(C)C)s1
InChIInChI=1S/C15H16ClNOS2/c1-9(2)17-15(18)14-12(8-13(19-3)20-14)10-4-6-11(16)7-5-10/h4-9H,1-3H3,(H,17,18)
InChIKeyQOJHXFVNFIJSMN-UHFFFAOYSA-N
MW325.89 g/mol
LogP4.93
Rot. Bonds4

About 3-(4-chlorophenyl)-5-methylsulfanyl-N-propan-2-ylthiophene-2-carboxamide

3-(4-chlorophenyl)-5-methylsulfanyl-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 2767956) has the molecular formula C15H16ClNOS2 and a molecular weight of 325.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-methylsulfanyl-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-methylsulfanyl-N-propan-2-ylthiophene-2-carboxamide
PubChem CID2767956
Molecular FormulaC15H16ClNOS2
Molecular Weight325.89 g/mol
Exact Mass325.04
IUPAC Name3-(4-chlorophenyl)-5-methylsulfanyl-N-propan-2-ylthiophene-2-carboxamide
SMILESCSc1cc(-c2ccc(Cl)cc2)c(C(=O)NC(C)C)s1
InChIInChI=1S/C15H16ClNOS2/c1-9(2)17-15(18)14-12(8-13(19-3)20-14)10-4-6-11(16)7-5-10/h4-9H,1-3H3,(H,17,18)
InChIKeyQOJHXFVNFIJSMN-UHFFFAOYSA-N
XLogP4.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.89
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-methylsulfanyl-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-5-methylsulfanyl-N-propan-2-ylthiophene-2-carboxamide (CID 2767956) is 3-(4-chlorophenyl)-5-methylsulfanyl-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-5-methylsulfanyl-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-5-methylsulfanyl-N-propan-2-ylthiophene-2-carboxamide is CSc1cc(-c2ccc(Cl)cc2)c(C(=O)NC(C)C)s1.
What is the InChIKey of 3-(4-chlorophenyl)-5-methylsulfanyl-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is QOJHXFVNFIJSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNOS2/c1-9(2)17-15(18)14-12(8-13(19-3)20-14)10-4-6-11(16)7-5-10/h4-9H,1-3H3,(H,17,18).
What are the key properties of 3-(4-chlorophenyl)-5-methylsulfanyl-N-propan-2-ylthiophene-2-carboxamide?
3-(4-chlorophenyl)-5-methylsulfanyl-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 325.89 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-methylsulfanyl-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 2767956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).