5-cyano-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide

C15H16N2O2S2 — CID 106267955

IUPAC5-cyano-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide
SMILESCC(C)c1ccc(CNS(=O)(=O)c2ccc(C#N)s2)cc1
InChIInChI=1S/C15H16N2O2S2/c1-11(2)13-5-3-12(4-6-13)10-17-21(18,19)15-8-7-14(9-16)20-15/h3-8,11,17H,10H2,1-2H3
InChIKeyMJQKXHDOPPYYCC-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.22
Rot. Bonds5

About 5-cyano-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide

5-cyano-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 106267955) has the molecular formula C15H16N2O2S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 5-cyano-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide
PubChem CID106267955
Molecular FormulaC15H16N2O2S2
Molecular Weight320.44 g/mol
Exact Mass320.07
IUPAC Name5-cyano-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide
SMILESCC(C)c1ccc(CNS(=O)(=O)c2ccc(C#N)s2)cc1
InChIInChI=1S/C15H16N2O2S2/c1-11(2)13-5-3-12(4-6-13)10-17-21(18,19)15-8-7-14(9-16)20-15/h3-8,11,17H,10H2,1-2H3
InChIKeyMJQKXHDOPPYYCC-UHFFFAOYSA-N
XLogP3.22
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 106268154
3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylpropanoic acid
CID 106265542
5-cyano-N-[(5-methylthiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 106268021
5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 106269709
5-cyano-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 106267194
N-[(3-aminophenyl)methyl]-5-cyanothiophene-2-sulfonamide
CID 106265208
5-cyano-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 106272347
N-butyl-5-cyanothiophene-2-sulfonamide
CID 106266954
4-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylbutanoic acid
CID 106265760
5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267146
5-cyano-N-(2-methyl-2-methylsulfonylpropyl)thiophene-2-sulfonamide
CID 106268602
5-cyano-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
CID 106267494

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide (CID 106267955) is 5-cyano-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide is CC(C)c1ccc(CNS(=O)(=O)c2ccc(C#N)s2)cc1.
What is the InChIKey of 5-cyano-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is MJQKXHDOPPYYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S2/c1-11(2)13-5-3-12(4-6-13)10-17-21(18,19)15-8-7-14(9-16)20-15/h3-8,11,17H,10H2,1-2H3.
What are the key properties of 5-cyano-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide?
5-cyano-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 320.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106267955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).