5-cyano-N-[(1R)-1-phenylethyl]thiophene-2-sulfonamide

C13H12N2O2S2 — CID 106269624

IUPAC5-cyano-N-[(1R)-1-phenylethyl]thiophene-2-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(C#N)s1)c1ccccc1
InChIInChI=1S/C13H12N2O2S2/c1-10(11-5-3-2-4-6-11)15-19(16,17)13-8-7-12(9-14)18-13/h2-8,10,15H,1H3/t10-/m1/s1
InChIKeyNKCCAHNBDWJEDG-SNVBAGLBSA-N
MW292.39 g/mol
LogP2.66
Rot. Bonds4

About 5-cyano-N-[(1R)-1-phenylethyl]thiophene-2-sulfonamide

5-cyano-N-[(1R)-1-phenylethyl]thiophene-2-sulfonamide (PubChem CID 106269624) has the molecular formula C13H12N2O2S2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 5-cyano-N-[(1R)-1-phenylethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-[(1R)-1-phenylethyl]thiophene-2-sulfonamide
PubChem CID106269624
Molecular FormulaC13H12N2O2S2
Molecular Weight292.39 g/mol
Exact Mass292.03
IUPAC Name5-cyano-N-[(1R)-1-phenylethyl]thiophene-2-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(C#N)s1)c1ccccc1
InChIInChI=1S/C13H12N2O2S2/c1-10(11-5-3-2-4-6-11)15-19(16,17)13-8-7-12(9-14)18-13/h2-8,10,15H,1H3/t10-/m1/s1
InChIKeyNKCCAHNBDWJEDG-SNVBAGLBSA-N
XLogP2.66
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 106267712
5-[[(1R)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 63867055
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-cyano-N-(1-cyanopropyl)thiophene-2-sulfonamide
CID 106266730
(2R)-2-[(5-cyanothiophen-2-yl)sulfonylamino]butanoic acid
CID 106265686
2-[(5-cyanothiophen-2-yl)sulfonylamino]-3-methylbutanamide
CID 106345606
5-(2-aminoethyl)-N-(1-phenylethyl)thiophene-2-sulfonamide
CID 43520782
2-[5-(1-phenylethylsulfamoyl)thiophen-2-yl]acetic acid
CID 43079020
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
5-cyano-N-(1-cyanobutyl)thiophene-2-sulfonamide
CID 106266731
5-cyano-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide
CID 106267955

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(1R)-1-phenylethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-[(1R)-1-phenylethyl]thiophene-2-sulfonamide (CID 106269624) is 5-cyano-N-[(1R)-1-phenylethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-[(1R)-1-phenylethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-[(1R)-1-phenylethyl]thiophene-2-sulfonamide is C[C@@H](NS(=O)(=O)c1ccc(C#N)s1)c1ccccc1.
What is the InChIKey of 5-cyano-N-[(1R)-1-phenylethyl]thiophene-2-sulfonamide?
The InChIKey is NKCCAHNBDWJEDG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H12N2O2S2/c1-10(11-5-3-2-4-6-11)15-19(16,17)13-8-7-12(9-14)18-13/h2-8,10,15H,1H3/t10-/m1/s1.
What are the key properties of 5-cyano-N-[(1R)-1-phenylethyl]thiophene-2-sulfonamide?
5-cyano-N-[(1R)-1-phenylethyl]thiophene-2-sulfonamide has a molecular weight of 292.39 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(1R)-1-phenylethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106269624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).