2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]-N-(2-thiophen-2-ylethyl)benzamide

C22H20F2N2O3S2 — CID 26795665

IUPAC2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(COc1ccccc1C(=O)NCCc1cccs1)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C22H20F2N2O3S2/c23-22(24)31-17-9-7-15(8-10-17)26-20(27)14-29-19-6-2-1-5-18(19)21(28)25-12-11-16-4-3-13-30-16/h1-10,13,22H,11-12,14H2,(H,25,28)(H,26,27)
InChIKeySEXIZBUWFXBTTC-UHFFFAOYSA-N
MW462.54 g/mol
LogP5.05
Rot. Bonds10

About 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]-N-(2-thiophen-2-ylethyl)benzamide

2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 26795665) has the molecular formula C22H20F2N2O3S2 and a molecular weight of 462.54 g/mol. Its IUPAC name is 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID26795665
Molecular FormulaC22H20F2N2O3S2
Molecular Weight462.54 g/mol
Exact Mass462.09
IUPAC Name2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(COc1ccccc1C(=O)NCCc1cccs1)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C22H20F2N2O3S2/c23-22(24)31-17-9-7-15(8-10-17)26-20(27)14-29-19-6-2-1-5-18(19)21(28)25-12-11-16-4-3-13-30-16/h1-10,13,22H,11-12,14H2,(H,25,28)(H,26,27)
InChIKeySEXIZBUWFXBTTC-UHFFFAOYSA-N
XLogP5.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.54
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]-N-(2-thiophen-2-ylethyl)benzamide 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

methyl 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]benzoate
CID 42964430
2-(2-amino-2-oxoethoxy)-N-(2-thiophen-2-ylethyl)benzamide
CID 134031335
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenoxy)acetamide
CID 2326558
2-(difluoromethylsulfanyl)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 78806718
[2-(diethylamino)-2-oxoethyl] 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]benzoate
CID 29243511
N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(1-imidazol-1-ylethenyl)phenoxy]acetamide
CID 24633206
2-[2-oxo-2-(2-phenylethylamino)ethoxy]-N-phenylbenzamide
CID 2535242
N-(thiophen-2-ylmethyl)-2-[3-[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide
CID 102205335
N-benzyl-2-[2-[4-(difluoromethoxy)anilino]-2-oxoethoxy]benzamide
CID 34092044
2,3-difluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 62649314
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide
CID 46937197
2-(2-anilino-2-oxoethoxy)-N-benzylbenzamide
CID 4800998

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]-N-(2-thiophen-2-ylethyl)benzamide (CID 26795665) is 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]-N-(2-thiophen-2-ylethyl)benzamide is O=C(COc1ccccc1C(=O)NCCc1cccs1)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is SEXIZBUWFXBTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O3S2/c23-22(24)31-17-9-7-15(8-10-17)26-20(27)14-29-19-6-2-1-5-18(19)21(28)25-12-11-16-4-3-13-30-16/h1-10,13,22H,11-12,14H2,(H,25,28)(H,26,27).
What are the key properties of 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]-N-(2-thiophen-2-ylethyl)benzamide?
2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 462.54 g/mol, XLogP of 5.05, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 26795665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).