N-(4-ethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C15H18N2O4S2 — CID 3243492

IUPACN-(4-ethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C15H18N2O4S2/c1-3-21-13-8-6-12(7-9-13)16-14(18)11-17(2)23(19,20)15-5-4-10-22-15/h4-10H,3,11H2,1-2H3,(H,16,18)
InChIKeyRDEKXTZJYGXVNJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.41
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-(4-ethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 3243492) has the molecular formula C15H18N2O4S2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID3243492
Molecular FormulaC15H18N2O4S2
Molecular Weight354.45 g/mol
Exact Mass354.07
IUPAC NameN-(4-ethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C15H18N2O4S2/c1-3-21-13-8-6-12(7-9-13)16-14(18)11-17(2)23(19,20)15-5-4-10-22-15/h4-10H,3,11H2,1-2H3,(H,16,18)
InChIKeyRDEKXTZJYGXVNJ-UHFFFAOYSA-N
XLogP2.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-ethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 3243492) is N-(4-ethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is RDEKXTZJYGXVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S2/c1-3-21-13-8-6-12(7-9-13)16-14(18)11-17(2)23(19,20)15-5-4-10-22-15/h4-10H,3,11H2,1-2H3,(H,16,18).
What are the key properties of N-(4-ethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-(4-ethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 3243492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).