2-[butyl(thiophen-2-ylsulfonyl)amino]-N-(4-phenoxyphenyl)acetamide

C22H24N2O4S2 — CID 2107882

IUPAC2-[butyl(thiophen-2-ylsulfonyl)amino]-N-(4-phenoxyphenyl)acetamide
SMILESCCCCN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C22H24N2O4S2/c1-2-3-15-24(30(26,27)22-10-7-16-29-22)17-21(25)23-18-11-13-20(14-12-18)28-19-8-5-4-6-9-19/h4-14,16H,2-3,15,17H2,1H3,(H,23,25)
InChIKeyQLESIYPAIAOHCG-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.97
Rot. Bonds10

About 2-[butyl(thiophen-2-ylsulfonyl)amino]-N-(4-phenoxyphenyl)acetamide

2-[butyl(thiophen-2-ylsulfonyl)amino]-N-(4-phenoxyphenyl)acetamide (PubChem CID 2107882) has the molecular formula C22H24N2O4S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-[butyl(thiophen-2-ylsulfonyl)amino]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[butyl(thiophen-2-ylsulfonyl)amino]-N-(4-phenoxyphenyl)acetamide
PubChem CID2107882
Molecular FormulaC22H24N2O4S2
Molecular Weight444.58 g/mol
Exact Mass444.12
IUPAC Name2-[butyl(thiophen-2-ylsulfonyl)amino]-N-(4-phenoxyphenyl)acetamide
SMILESCCCCN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C22H24N2O4S2/c1-2-3-15-24(30(26,27)22-10-7-16-29-22)17-21(25)23-18-11-13-20(14-12-18)28-19-8-5-4-6-9-19/h4-14,16H,2-3,15,17H2,1H3,(H,23,25)
InChIKeyQLESIYPAIAOHCG-UHFFFAOYSA-N
XLogP4.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[butyl(thiophen-2-ylsulfonyl)amino]-N-(4-phenoxyphenyl)acetamide 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

2-[3-methoxypropyl(thiophen-2-ylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 5108161
N-(4-fluorophenyl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 26055171
2-[butyl(methylsulfonyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 113148410
2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-phenoxyphenyl)acetamide
CID 100782482
N-[4-(difluoromethoxy)phenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 29221704
N-(4-tert-butylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 7685406
ethyl 2-[methyl-[3-[methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]amino]propyl]amino]hexanoate
CID 69400815
N-methyl-4-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]benzamide
CID 9429046
N-butyl-N-methylthiophene-2-sulfonamide
CID 4992196
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-phenoxyphenyl)acetamide
CID 30169662
(2S)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 2399708
[2-oxo-2-(3-phenoxyanilino)ethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 23851040

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(thiophen-2-ylsulfonyl)amino]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[butyl(thiophen-2-ylsulfonyl)amino]-N-(4-phenoxyphenyl)acetamide (CID 2107882) is 2-[butyl(thiophen-2-ylsulfonyl)amino]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[butyl(thiophen-2-ylsulfonyl)amino]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[butyl(thiophen-2-ylsulfonyl)amino]-N-(4-phenoxyphenyl)acetamide is CCCCN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-[butyl(thiophen-2-ylsulfonyl)amino]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is QLESIYPAIAOHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S2/c1-2-3-15-24(30(26,27)22-10-7-16-29-22)17-21(25)23-18-11-13-20(14-12-18)28-19-8-5-4-6-9-19/h4-14,16H,2-3,15,17H2,1H3,(H,23,25).
What are the key properties of 2-[butyl(thiophen-2-ylsulfonyl)amino]-N-(4-phenoxyphenyl)acetamide?
2-[butyl(thiophen-2-ylsulfonyl)amino]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 444.58 g/mol, XLogP of 4.97, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(thiophen-2-ylsulfonyl)amino]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 2107882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).