3-phenyl-N-(thiophen-2-ylmethyl)propane-1-sulfonamide

C14H17NO2S2 — CID 110779514

IUPAC3-phenyl-N-(thiophen-2-ylmethyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)NCc1cccs1
InChIInChI=1S/C14H17NO2S2/c16-19(17,15-12-14-9-4-10-18-14)11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,15H,5,8,11-12H2
InChIKeyGPEYQFMTBWBWKN-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.80
Rot. Bonds7

About 3-phenyl-N-(thiophen-2-ylmethyl)propane-1-sulfonamide

3-phenyl-N-(thiophen-2-ylmethyl)propane-1-sulfonamide (PubChem CID 110779514) has the molecular formula C14H17NO2S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-phenyl-N-(thiophen-2-ylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-phenyl-N-(thiophen-2-ylmethyl)propane-1-sulfonamide
PubChem CID110779514
Molecular FormulaC14H17NO2S2
Molecular Weight295.43 g/mol
Exact Mass295.07
IUPAC Name3-phenyl-N-(thiophen-2-ylmethyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)NCc1cccs1
InChIInChI=1S/C14H17NO2S2/c16-19(17,15-12-14-9-4-10-18-14)11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,15H,5,8,11-12H2
InChIKeyGPEYQFMTBWBWKN-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropane-1-sulfonamide
CID 112503232
3-phenyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 28646753
N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 113098105
N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-phenylpropane-1-sulfonamide
CID 110719646
1-(4-cyanophenyl)-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 43242571
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110728027
3-phenyl-N-[2-(1,3-thiazol-5-yl)ethyl]propane-1-sulfonamide
CID 110717616
N-[(3-methoxyphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 110779943
N-benzyl-3-thiophen-2-ylpropan-1-amine
CID 83456686
N-(1H-indol-3-ylmethyl)-3-phenylpropane-1-sulfonamide
CID 110357490
1-benzyl-2-(thiophen-2-ylmethyl)hydrazine
CID 90764446
2-[2-(benzylsulfamoyl)ethyl]-1-ethyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111349314

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(thiophen-2-ylmethyl)propane-1-sulfonamide?
The IUPAC name of 3-phenyl-N-(thiophen-2-ylmethyl)propane-1-sulfonamide (CID 110779514) is 3-phenyl-N-(thiophen-2-ylmethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-phenyl-N-(thiophen-2-ylmethyl)propane-1-sulfonamide?
The canonical SMILES for 3-phenyl-N-(thiophen-2-ylmethyl)propane-1-sulfonamide is O=S(=O)(CCCc1ccccc1)NCc1cccs1.
What is the InChIKey of 3-phenyl-N-(thiophen-2-ylmethyl)propane-1-sulfonamide?
The InChIKey is GPEYQFMTBWBWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S2/c16-19(17,15-12-14-9-4-10-18-14)11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,15H,5,8,11-12H2.
What are the key properties of 3-phenyl-N-(thiophen-2-ylmethyl)propane-1-sulfonamide?
3-phenyl-N-(thiophen-2-ylmethyl)propane-1-sulfonamide has a molecular weight of 295.43 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(thiophen-2-ylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 110779514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).