5-(4-methylphenyl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide

C15H17NO3S2 — CID 53124563

IUPAC5-(4-methylphenyl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide
SMILESCc1ccc(S(=O)(=O)c2ccc(C(=O)NC(C)C)s2)cc1
InChIInChI=1S/C15H17NO3S2/c1-10(2)16-15(17)13-8-9-14(20-13)21(18,19)12-6-4-11(3)5-7-12/h4-10H,1-3H3,(H,16,17)
InChIKeyJDIITGLWHUORGJ-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.03
Rot. Bonds4

About 5-(4-methylphenyl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide

5-(4-methylphenyl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 53124563) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 5-(4-methylphenyl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide
PubChem CID53124563
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC Name5-(4-methylphenyl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide
SMILESCc1ccc(S(=O)(=O)c2ccc(C(=O)NC(C)C)s2)cc1
InChIInChI=1S/C15H17NO3S2/c1-10(2)16-15(17)13-8-9-14(20-13)21(18,19)12-6-4-11(3)5-7-12/h4-10H,1-3H3,(H,16,17)
InChIKeyJDIITGLWHUORGJ-UHFFFAOYSA-N
XLogP3.03
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of 5-(4-methylphenyl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide (CID 53124563) is 5-(4-methylphenyl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide is Cc1ccc(S(=O)(=O)c2ccc(C(=O)NC(C)C)s2)cc1.
What is the InChIKey of 5-(4-methylphenyl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is JDIITGLWHUORGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S2/c1-10(2)16-15(17)13-8-9-14(20-13)21(18,19)12-6-4-11(3)5-7-12/h4-10H,1-3H3,(H,16,17).
What are the key properties of 5-(4-methylphenyl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide?
5-(4-methylphenyl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 53124563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).