N-(4-phenylbutyl)thiophene-2-sulfonamide

C14H17NO2S2 — CID 3802488

IUPACN-(4-phenylbutyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCCc1ccccc1)c1cccs1
InChIInChI=1S/C14H17NO2S2/c16-19(17,14-10-6-12-18-14)15-11-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,10,12,15H,4-5,9,11H2
InChIKeyDWEUSRVATKATIH-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.05
Rot. Bonds7

About N-(4-phenylbutyl)thiophene-2-sulfonamide

N-(4-phenylbutyl)thiophene-2-sulfonamide (PubChem CID 3802488) has the molecular formula C14H17NO2S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(4-phenylbutyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-phenylbutyl)thiophene-2-sulfonamide
PubChem CID3802488
Molecular FormulaC14H17NO2S2
Molecular Weight295.43 g/mol
Exact Mass295.07
IUPAC NameN-(4-phenylbutyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCCc1ccccc1)c1cccs1
InChIInChI=1S/C14H17NO2S2/c16-19(17,14-10-6-12-18-14)15-11-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,10,12,15H,4-5,9,11H2
InChIKeyDWEUSRVATKATIH-UHFFFAOYSA-N
XLogP3.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide
CID 47330584
N-pentylthiophene-2-sulfonamide
CID 5150701
N-[3-(3-hydroxyphenyl)propyl]thiophene-2-sulfonamide
CID 110667301
N-dodecylthiophene-2-sulfonamide
CID 19681497
N-(3-phenoxypropyl)thiophene-2-sulfonamide
CID 47122008
dimethyl-[3-(thiophen-2-ylsulfonylamino)propyl]azanium
CID 7765655
N-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride
CID 119962042
N-[4-(3-phenylpropylamino)phenyl]thiophene-2-sulfonamide
CID 112984772
N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 31972396
N-(4-cyanobutyl)thiophene-2-sulfonamide
CID 63297087
N-[2-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide
CID 9301774
3-methyl-N-(4-phenylbutyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 24563572

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutyl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-phenylbutyl)thiophene-2-sulfonamide (CID 3802488) is N-(4-phenylbutyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-phenylbutyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-phenylbutyl)thiophene-2-sulfonamide is O=S(=O)(NCCCCc1ccccc1)c1cccs1.
What is the InChIKey of N-(4-phenylbutyl)thiophene-2-sulfonamide?
The InChIKey is DWEUSRVATKATIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S2/c16-19(17,14-10-6-12-18-14)15-11-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,10,12,15H,4-5,9,11H2.
What are the key properties of N-(4-phenylbutyl)thiophene-2-sulfonamide?
N-(4-phenylbutyl)thiophene-2-sulfonamide has a molecular weight of 295.43 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutyl)thiophene-2-sulfonamide is sourced from PubChem (CID 3802488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).