4-[[cyclopropyl-[4-(trifluoromethylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide

C20H19F3N2O4S — CID 37154016

IUPAC4-[[cyclopropyl-[4-(trifluoromethylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C2CC2)cc1
InChIInChI=1S/C20H19F3N2O4S/c1-24-18(26)14-4-2-13(3-5-14)12-25(16-8-9-16)19(27)15-6-10-17(11-7-15)30(28,29)20(21,22)23/h2-7,10-11,16H,8-9,12H2,1H3,(H,24,26)
InChIKeyBXEUDHDGXGXAAA-UHFFFAOYSA-N
MW440.44 g/mol
LogP3.14
Rot. Bonds6

About 4-[[cyclopropyl-[4-(trifluoromethylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide

4-[[cyclopropyl-[4-(trifluoromethylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide (PubChem CID 37154016) has the molecular formula C20H19F3N2O4S and a molecular weight of 440.44 g/mol. Its IUPAC name is 4-[[cyclopropyl-[4-(trifluoromethylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[cyclopropyl-[4-(trifluoromethylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide
PubChem CID37154016
Molecular FormulaC20H19F3N2O4S
Molecular Weight440.44 g/mol
Exact Mass440.10
IUPAC Name4-[[cyclopropyl-[4-(trifluoromethylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C2CC2)cc1
InChIInChI=1S/C20H19F3N2O4S/c1-24-18(26)14-4-2-13(3-5-14)12-25(16-8-9-16)19(27)15-6-10-17(11-7-15)30(28,29)20(21,22)23/h2-7,10-11,16H,8-9,12H2,1H3,(H,24,26)
InChIKeyBXEUDHDGXGXAAA-UHFFFAOYSA-N
XLogP3.14
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[cyclopropyl-(4-methylsulfonylbenzoyl)amino]methyl]-N-methylbenzamide
CID 33351444
4-[[benzoyl(cyclopropyl)amino]methyl]-N-methylbenzamide
CID 33351912
N-cyclopropyl-N-(pyridin-3-ylmethyl)-4-(trifluoromethylsulfonyl)benzamide
CID 37028672
N-cyclopropyl-5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 33351813
N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide
CID 32589766
N-cyclopropyl-3,4,5-triethoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 33351847
4-chloro-N-cyclopropyl-3-iodo-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 39881157
4-[[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-cyclopropylamino]methyl]-N-methylbenzamide
CID 34181015
5-bromo-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 33352211
N-methyl-4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide
CID 26542056
N-cyclopropyl-5-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 33353552
N-cyclopropyl-4-(difluoromethoxy)-3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 33349377

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl-[4-(trifluoromethylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[cyclopropyl-[4-(trifluoromethylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide (CID 37154016) is 4-[[cyclopropyl-[4-(trifluoromethylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[cyclopropyl-[4-(trifluoromethylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[cyclopropyl-[4-(trifluoromethylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C2CC2)cc1.
What is the InChIKey of 4-[[cyclopropyl-[4-(trifluoromethylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide?
The InChIKey is BXEUDHDGXGXAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O4S/c1-24-18(26)14-4-2-13(3-5-14)12-25(16-8-9-16)19(27)15-6-10-17(11-7-15)30(28,29)20(21,22)23/h2-7,10-11,16H,8-9,12H2,1H3,(H,24,26).
What are the key properties of 4-[[cyclopropyl-[4-(trifluoromethylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide?
4-[[cyclopropyl-[4-(trifluoromethylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide has a molecular weight of 440.44 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl-[4-(trifluoromethylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 37154016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).