N-[3-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide

C14H17NO3S2 — CID 47330584

IUPACN-[3-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide
SMILESCOc1ccc(CCCNS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C14H17NO3S2/c1-18-13-8-6-12(7-9-13)4-2-10-15-20(16,17)14-5-3-11-19-14/h3,5-9,11,15H,2,4,10H2,1H3
InChIKeyWMMXYJWVRQLDMC-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.67
Rot. Bonds7

About N-[3-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide

N-[3-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide (PubChem CID 47330584) has the molecular formula C14H17NO3S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide
PubChem CID47330584
Molecular FormulaC14H17NO3S2
Molecular Weight311.43 g/mol
Exact Mass311.06
IUPAC NameN-[3-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide
SMILESCOc1ccc(CCCNS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C14H17NO3S2/c1-18-13-8-6-12(7-9-13)4-2-10-15-20(16,17)14-5-3-11-19-14/h3,5-9,11,15H,2,4,10H2,1H3
InChIKeyWMMXYJWVRQLDMC-UHFFFAOYSA-N
XLogP2.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-phenylbutyl)thiophene-2-sulfonamide
CID 3802488
N-[2-(2,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 110601518
N-pentylthiophene-2-sulfonamide
CID 5150701
N-[3-(3-hydroxyphenyl)propyl]thiophene-2-sulfonamide
CID 110667301
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
N-dodecylthiophene-2-sulfonamide
CID 19681497
N-(3-phenoxypropyl)thiophene-2-sulfonamide
CID 47122008
N-[3-(4-fluorophenoxy)propyl]thiophene-2-sulfonamide
CID 47474310
N-[3-(4-methoxyphenyl)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 55976933
dimethyl-[3-(thiophen-2-ylsulfonylamino)propyl]azanium
CID 7765655
methyl 6-(thiophen-2-ylsulfonylamino)hexanoate
CID 43404961
N-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride
CID 119962042

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide (CID 47330584) is N-[3-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide is COc1ccc(CCCNS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide?
The InChIKey is WMMXYJWVRQLDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S2/c1-18-13-8-6-12(7-9-13)4-2-10-15-20(16,17)14-5-3-11-19-14/h3,5-9,11,15H,2,4,10H2,1H3.
What are the key properties of N-[3-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide?
N-[3-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 47330584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).