4-(difluoromethylsulfonyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide

C19H20F2N2O4S — CID 8503563

IUPAC4-(difluoromethylsulfonyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c1C
InChIInChI=1S/C19H20F2N2O4S/c1-12-5-4-6-16(13(12)2)22-17(24)11-23(3)18(25)14-7-9-15(10-8-14)28(26,27)19(20)21/h4-10,19H,11H2,1-3H3,(H,22,24)
InChIKeyFURCAQNTZVESMQ-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.01
Rot. Bonds6

About 4-(difluoromethylsulfonyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide

4-(difluoromethylsulfonyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 8503563) has the molecular formula C19H20F2N2O4S and a molecular weight of 410.44 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
PubChem CID8503563
Molecular FormulaC19H20F2N2O4S
Molecular Weight410.44 g/mol
Exact Mass410.11
IUPAC Name4-(difluoromethylsulfonyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c1C
InChIInChI=1S/C19H20F2N2O4S/c1-12-5-4-6-16(13(12)2)22-17(24)11-23(3)18(25)14-7-9-15(10-8-14)28(26,27)19(20)21/h4-10,19H,11H2,1-3H3,(H,22,24)
InChIKeyFURCAQNTZVESMQ-UHFFFAOYSA-N
XLogP3.01
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 26656595
4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8503588
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 8503637
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 51146033
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methoxy-N-methylbenzamide
CID 8503609
N-[2-(dimethylamino)-2-oxoethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]-N-methylbenzamide
CID 9227034
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 38035453
N-(2,3-dimethylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 925267
3,5-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide
CID 9161434
5-bromo-N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 112834284
N-(2,3-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]acetamide
CID 35329527
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide
CID 71881091

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide (CID 8503563) is 4-(difluoromethylsulfonyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide is Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c1C.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is FURCAQNTZVESMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O4S/c1-12-5-4-6-16(13(12)2)22-17(24)11-23(3)18(25)14-7-9-15(10-8-14)28(26,27)19(20)21/h4-10,19H,11H2,1-3H3,(H,22,24).
What are the key properties of 4-(difluoromethylsulfonyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
4-(difluoromethylsulfonyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 410.44 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 8503563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).