N-(4-phenylbutan-2-yl)thiophene-2-sulfonamide

C14H17NO2S2 — CID 3722193

IUPACN-(4-phenylbutan-2-yl)thiophene-2-sulfonamide
SMILESCC(CCc1ccccc1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C14H17NO2S2/c1-12(9-10-13-6-3-2-4-7-13)15-19(16,17)14-8-5-11-18-14/h2-8,11-12,15H,9-10H2,1H3
InChIKeyJXRNQNOXMBNKBD-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.05
Rot. Bonds6

About N-(4-phenylbutan-2-yl)thiophene-2-sulfonamide

N-(4-phenylbutan-2-yl)thiophene-2-sulfonamide (PubChem CID 3722193) has the molecular formula C14H17NO2S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)thiophene-2-sulfonamide
PubChem CID3722193
Molecular FormulaC14H17NO2S2
Molecular Weight295.43 g/mol
Exact Mass295.07
IUPAC NameN-(4-phenylbutan-2-yl)thiophene-2-sulfonamide
SMILESCC(CCc1ccccc1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C14H17NO2S2/c1-12(9-10-13-6-3-2-4-7-13)15-19(16,17)14-8-5-11-18-14/h2-8,11-12,15H,9-10H2,1H3
InChIKeyJXRNQNOXMBNKBD-UHFFFAOYSA-N
XLogP3.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxybutan-2-yl)thiophene-2-sulfonamide
CID 115477913
N-(1-methoxypropan-2-yl)thiophene-2-sulfonamide
CID 3781964
3-methyl-N-(4-phenylbutyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 24563572
(2R)-N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 26873900
N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 22427284
4-ethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7765610
4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3870865
N-(4-phenylbutyl)thiophene-2-sulfonamide
CID 3802488
N-(2-aminoethyl)-N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride
CID 120886821
4-methoxy-2,6-dimethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 133166471
3-(4-phenylbutan-2-ylsulfamoyl)propanoic acid
CID 43361780
3-fluoro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
CID 40654245

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-phenylbutan-2-yl)thiophene-2-sulfonamide (CID 3722193) is N-(4-phenylbutan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-phenylbutan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-phenylbutan-2-yl)thiophene-2-sulfonamide is CC(CCc1ccccc1)NS(=O)(=O)c1cccs1.
What is the InChIKey of N-(4-phenylbutan-2-yl)thiophene-2-sulfonamide?
The InChIKey is JXRNQNOXMBNKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S2/c1-12(9-10-13-6-3-2-4-7-13)15-19(16,17)14-8-5-11-18-14/h2-8,11-12,15H,9-10H2,1H3.
What are the key properties of N-(4-phenylbutan-2-yl)thiophene-2-sulfonamide?
N-(4-phenylbutan-2-yl)thiophene-2-sulfonamide has a molecular weight of 295.43 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 3722193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).