4-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-diethylbenzamide

C19H20F2N2O2S — CID 24617722

IUPAC4-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccc(SC(F)F)cc2)cc1
InChIInChI=1S/C19H20F2N2O2S/c1-3-23(4-2)18(25)14-5-9-15(10-6-14)22-17(24)13-7-11-16(12-8-13)26-19(20)21/h5-12,19H,3-4H2,1-2H3,(H,22,24)
InChIKeyHLPKNGMJRWTOHU-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.74
Rot. Bonds7

About 4-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-diethylbenzamide

4-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-diethylbenzamide (PubChem CID 24617722) has the molecular formula C19H20F2N2O2S and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-diethylbenzamide
PubChem CID24617722
Molecular FormulaC19H20F2N2O2S
Molecular Weight378.44 g/mol
Exact Mass378.12
IUPAC Name4-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccc(SC(F)F)cc2)cc1
InChIInChI=1S/C19H20F2N2O2S/c1-3-23(4-2)18(25)14-5-9-15(10-6-14)22-17(24)13-7-11-16(12-8-13)26-19(20)21/h5-12,19H,3-4H2,1-2H3,(H,22,24)
InChIKeyHLPKNGMJRWTOHU-UHFFFAOYSA-N
XLogP4.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-diethylbenzamide 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

1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426
4-(difluoromethylsulfanyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858692
4-(difluoromethylsulfanyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 32940874
N-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)benzamide
CID 2567810
methyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048429
4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109048416
3-[4-(difluoromethylsulfanyl)phenyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110890261
1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048473
1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048413
ethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048450
4-(difluoromethylsulfanyl)-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 75477317
4-(cyclopropanecarbonylamino)-N-[4-(difluoromethylsulfanyl)phenyl]benzamide
CID 26908479

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 4-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-diethylbenzamide (CID 24617722) is 4-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(SC(F)F)cc2)cc1.
What is the InChIKey of 4-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-diethylbenzamide?
The InChIKey is HLPKNGMJRWTOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2S/c1-3-23(4-2)18(25)14-5-9-15(10-6-14)22-17(24)13-7-11-16(12-8-13)26-19(20)21/h5-12,19H,3-4H2,1-2H3,(H,22,24).
What are the key properties of 4-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-diethylbenzamide?
4-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-diethylbenzamide has a molecular weight of 378.44 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 24617722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).