3-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-dimethylbenzamide

C17H16F2N2O2S — CID 51339145

IUPAC3-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)c2ccc(SC(F)F)cc2)c1
InChIInChI=1S/C17H16F2N2O2S/c1-21(2)16(23)12-4-3-5-13(10-12)20-15(22)11-6-8-14(9-7-11)24-17(18)19/h3-10,17H,1-2H3,(H,20,22)
InChIKeyDVRMIAOUQHWXOC-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.96
Rot. Bonds5

About 3-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-dimethylbenzamide

3-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-dimethylbenzamide (PubChem CID 51339145) has the molecular formula C17H16F2N2O2S and a molecular weight of 350.39 g/mol. Its IUPAC name is 3-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-dimethylbenzamide
PubChem CID51339145
Molecular FormulaC17H16F2N2O2S
Molecular Weight350.39 g/mol
Exact Mass350.09
IUPAC Name3-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)c2ccc(SC(F)F)cc2)c1
InChIInChI=1S/C17H16F2N2O2S/c1-21(2)16(23)12-4-3-5-13(10-12)20-15(22)11-6-8-14(9-7-11)24-17(18)19/h3-10,17H,1-2H3,(H,20,22)
InChIKeyDVRMIAOUQHWXOC-UHFFFAOYSA-N
XLogP3.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-acetamidobenzoyl)amino]-N,N-dimethylbenzamide
CID 134037398
4-(difluoromethylsulfanyl)-N-(3-ethylphenyl)benzamide
CID 24616145
N,N-dimethyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 17231735
N-(3-cyanophenyl)-4-(difluoromethylsulfanyl)benzamide
CID 17469695
N-[3-(dimethylcarbamoyl)phenyl]-3-fluoro-4-methylbenzamide
CID 30379250
N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbenzamide
CID 7731668
N,N-dimethyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzamide
CID 32626914
N-[3-(dimethylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 17231812
4-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-diethylbenzamide
CID 24617722
N,N-dimethyl-3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide
CID 30379466
3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-5-fluorobenzamide
CID 55706623
3-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 32627137

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-dimethylbenzamide (CID 51339145) is 3-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(NC(=O)c2ccc(SC(F)F)cc2)c1.
What is the InChIKey of 3-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-dimethylbenzamide?
The InChIKey is DVRMIAOUQHWXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2S/c1-21(2)16(23)12-4-3-5-13(10-12)20-15(22)11-6-8-14(9-7-11)24-17(18)19/h3-10,17H,1-2H3,(H,20,22).
What are the key properties of 3-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-dimethylbenzamide?
3-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-dimethylbenzamide has a molecular weight of 350.39 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 51339145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).