3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N,N-diethylbenzamide

C19H20F2N2O4S — CID 26070782

IUPAC3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c1
InChIInChI=1S/C19H20F2N2O4S/c1-3-23(4-2)18(25)14-6-5-7-15(12-14)22-17(24)13-8-10-16(11-9-13)28(26,27)19(20)21/h5-12,19H,3-4H2,1-2H3,(H,22,24)
InChIKeyFJRJVISVWBRWIK-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.42
Rot. Bonds7

About 3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N,N-diethylbenzamide

3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N,N-diethylbenzamide (PubChem CID 26070782) has the molecular formula C19H20F2N2O4S and a molecular weight of 410.44 g/mol. Its IUPAC name is 3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N,N-diethylbenzamide
PubChem CID26070782
Molecular FormulaC19H20F2N2O4S
Molecular Weight410.44 g/mol
Exact Mass410.11
IUPAC Name3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c1
InChIInChI=1S/C19H20F2N2O4S/c1-3-23(4-2)18(25)14-6-5-7-15(12-14)22-17(24)13-8-10-16(11-9-13)28(26,27)19(20)21/h5-12,19H,3-4H2,1-2H3,(H,22,24)
InChIKeyFJRJVISVWBRWIK-UHFFFAOYSA-N
XLogP3.42
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N-ethylbenzamide
CID 8782088
4-(difluoromethylsulfonyl)-N-(3-hydroxyphenyl)benzamide
CID 78829368
N-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide
CID 17435315
3-[[4-(diethylaminomethyl)benzoyl]amino]-N,N-diethylbenzamide
CID 55645545
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 26712665
N,N-diethyl-3-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17194593
N-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 26313396
N,N-diethyl-3-[[3-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
CID 26712749
N-[3-(diethylcarbamoyl)phenyl]-3-(prop-2-enoylamino)benzamide
CID 141125198
N-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide
CID 17194604
4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
CID 26898710

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N,N-diethylbenzamide (CID 26070782) is 3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c1.
What is the InChIKey of 3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N,N-diethylbenzamide?
The InChIKey is FJRJVISVWBRWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O4S/c1-3-23(4-2)18(25)14-6-5-7-15(12-14)22-17(24)13-8-10-16(11-9-13)28(26,27)19(20)21/h5-12,19H,3-4H2,1-2H3,(H,22,24).
What are the key properties of 3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N,N-diethylbenzamide?
3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N,N-diethylbenzamide has a molecular weight of 410.44 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 26070782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).