N-[2-(4-thiophen-3-ylphenyl)propyl]methanesulfonamide

C14H17NO2S2 — CID 10685310

IUPACN-[2-(4-thiophen-3-ylphenyl)propyl]methanesulfonamide
SMILESCC(CNS(C)(=O)=O)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C14H17NO2S2/c1-11(9-15-19(2,16)17)12-3-5-13(6-4-12)14-7-8-18-10-14/h3-8,10-11,15H,9H2,1-2H3
InChIKeyAVBQYBDVMGZFKN-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.07
Rot. Bonds5

About N-[2-(4-thiophen-3-ylphenyl)propyl]methanesulfonamide

N-[2-(4-thiophen-3-ylphenyl)propyl]methanesulfonamide (PubChem CID 10685310) has the molecular formula C14H17NO2S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[2-(4-thiophen-3-ylphenyl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-thiophen-3-ylphenyl)propyl]methanesulfonamide
PubChem CID10685310
Molecular FormulaC14H17NO2S2
Molecular Weight295.43 g/mol
Exact Mass295.07
IUPAC NameN-[2-(4-thiophen-3-ylphenyl)propyl]methanesulfonamide
SMILESCC(CNS(C)(=O)=O)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C14H17NO2S2/c1-11(9-15-19(2,16)17)12-3-5-13(6-4-12)14-7-8-18-10-14/h3-8,10-11,15H,9H2,1-2H3
InChIKeyAVBQYBDVMGZFKN-UHFFFAOYSA-N
XLogP3.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-thiophen-3-ylphenyl)propyl]methanesulfonamide?
The IUPAC name of N-[2-(4-thiophen-3-ylphenyl)propyl]methanesulfonamide (CID 10685310) is N-[2-(4-thiophen-3-ylphenyl)propyl]methanesulfonamide.
What is the SMILES notation for N-[2-(4-thiophen-3-ylphenyl)propyl]methanesulfonamide?
The canonical SMILES for N-[2-(4-thiophen-3-ylphenyl)propyl]methanesulfonamide is CC(CNS(C)(=O)=O)c1ccc(-c2ccsc2)cc1.
What is the InChIKey of N-[2-(4-thiophen-3-ylphenyl)propyl]methanesulfonamide?
The InChIKey is AVBQYBDVMGZFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S2/c1-11(9-15-19(2,16)17)12-3-5-13(6-4-12)14-7-8-18-10-14/h3-8,10-11,15H,9H2,1-2H3.
What are the key properties of N-[2-(4-thiophen-3-ylphenyl)propyl]methanesulfonamide?
N-[2-(4-thiophen-3-ylphenyl)propyl]methanesulfonamide has a molecular weight of 295.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-thiophen-3-ylphenyl)propyl]methanesulfonamide is sourced from PubChem (CID 10685310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).