5-cyano-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide

C14H14N2O2S2 — CID 106267712

IUPAC5-cyano-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccccc1C(C)NS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C14H14N2O2S2/c1-10-5-3-4-6-13(10)11(2)16-20(17,18)14-8-7-12(9-15)19-14/h3-8,11,16H,1-2H3
InChIKeyQVEDBKOBHVQDJF-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.97
Rot. Bonds4

About 5-cyano-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide

5-cyano-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 106267712) has the molecular formula C14H14N2O2S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 5-cyano-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide
PubChem CID106267712
Molecular FormulaC14H14N2O2S2
Molecular Weight306.41 g/mol
Exact Mass306.05
IUPAC Name5-cyano-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccccc1C(C)NS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C14H14N2O2S2/c1-10-5-3-4-6-13(10)11(2)16-20(17,18)14-8-7-12(9-15)19-14/h3-8,11,16H,1-2H3
InChIKeyQVEDBKOBHVQDJF-UHFFFAOYSA-N
XLogP2.97
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-[(1R)-1-phenylethyl]thiophene-2-sulfonamide
CID 106269624
3-cyano-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 42999070
5-cyano-N-(2-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 106269401
5-cyano-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 106269433
5-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]thiophene-2-carbonitrile
CID 104865144
5-bromo-4-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 80578485
5-cyano-N-(1-cyanopropyl)thiophene-2-sulfonamide
CID 106266730
2-[(5-cyanothiophen-2-yl)sulfonylamino]-3-methylbutanamide
CID 106345606
5-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 81354446
4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 26944548
5-cyano-N-(1-cyanobutyl)thiophene-2-sulfonamide
CID 106266731
(2R)-2-[(5-cyanothiophen-2-yl)sulfonylamino]butanoic acid
CID 106265686

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide (CID 106267712) is 5-cyano-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide is Cc1ccccc1C(C)NS(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is QVEDBKOBHVQDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S2/c1-10-5-3-4-6-13(10)11(2)16-20(17,18)14-8-7-12(9-15)19-14/h3-8,11,16H,1-2H3.
What are the key properties of 5-cyano-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide?
5-cyano-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 306.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106267712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).