N-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylsulfonylpropanamide

C15H17NO4S2 — CID 3237297

IUPACN-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylsulfonylpropanamide
SMILESCOc1ccccc1CNC(=O)CCS(=O)(=O)c1cccs1
InChIInChI=1S/C15H17NO4S2/c1-20-13-6-3-2-5-12(13)11-16-14(17)8-10-22(18,19)15-7-4-9-21-15/h2-7,9H,8,10-11H2,1H3,(H,16,17)
InChIKeyMHDPCSOEWQRAFT-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.24
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylsulfonylpropanamide

N-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylsulfonylpropanamide (PubChem CID 3237297) has the molecular formula C15H17NO4S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylsulfonylpropanamide
PubChem CID3237297
Molecular FormulaC15H17NO4S2
Molecular Weight339.44 g/mol
Exact Mass339.06
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylsulfonylpropanamide
SMILESCOc1ccccc1CNC(=O)CCS(=O)(=O)c1cccs1
InChIInChI=1S/C15H17NO4S2/c1-20-13-6-3-2-5-12(13)11-16-14(17)8-10-22(18,19)15-7-4-9-21-15/h2-7,9H,8,10-11H2,1H3,(H,16,17)
InChIKeyMHDPCSOEWQRAFT-UHFFFAOYSA-N
XLogP2.24
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylsulfonylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-Methoxy-benzyl)-2-thiophen-2-yl-acetamide
CID 670019
Thiophene-2-sulfonic acid 2-methoxy-benzylamide
CID 769085
N-[2-(2-methoxyphenyl)ethyl]-2-(2-thienyl)acetamide
CID 1246879
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 2385440
N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylacetamide
CID 7697711
N-(3-methoxybenzyl)-4-[(thien-2-ylsulfonyl)amino]butanamide
CID 3244569
N-(2-methoxybenzyl)-2-(phenylthio)acetamide
CID 881386
N-(2-methoxybenzyl)-1-(thiophen-2-ylsulfonyl)piperidine-3-carboxamide
CID 18104644
((2-Methoxyphenyl)methyl)((thiophen-2-yl)methyl)amine
CID 2115238
N-(1,1-dioxothiolan-3-yl)-2-(2-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 662623
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2105197
2-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 2124830

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylsulfonylpropanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylsulfonylpropanamide (CID 3237297) is N-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylsulfonylpropanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylsulfonylpropanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylsulfonylpropanamide is COc1ccccc1CNC(=O)CCS(=O)(=O)c1cccs1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylsulfonylpropanamide?
The InChIKey is MHDPCSOEWQRAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S2/c1-20-13-6-3-2-5-12(13)11-16-14(17)8-10-22(18,19)15-7-4-9-21-15/h2-7,9H,8,10-11H2,1H3,(H,16,17).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylsulfonylpropanamide?
N-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylsulfonylpropanamide has a molecular weight of 339.44 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylsulfonylpropanamide is sourced from PubChem (CID 3237297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).