3-[[4-(methylsulfanylmethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

C18H17F3N2O2S — CID 18271385

IUPAC3-[[4-(methylsulfanylmethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCSCc1ccc(C(=O)Nc2cccc(C(=O)NCC(F)(F)F)c2)cc1
InChIInChI=1S/C18H17F3N2O2S/c1-26-10-12-5-7-13(8-6-12)17(25)23-15-4-2-3-14(9-15)16(24)22-11-18(19,20)21/h2-9H,10-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyRTCYLXOSIJFWJI-UHFFFAOYSA-N
MW382.41 g/mol
LogP4.09
Rot. Bonds6

About 3-[[4-(methylsulfanylmethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

3-[[4-(methylsulfanylmethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 18271385) has the molecular formula C18H17F3N2O2S and a molecular weight of 382.41 g/mol. Its IUPAC name is 3-[[4-(methylsulfanylmethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-[[4-(methylsulfanylmethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID18271385
Molecular FormulaC18H17F3N2O2S
Molecular Weight382.41 g/mol
Exact Mass382.10
IUPAC Name3-[[4-(methylsulfanylmethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCSCc1ccc(C(=O)Nc2cccc(C(=O)NCC(F)(F)F)c2)cc1
InChIInChI=1S/C18H17F3N2O2S/c1-26-10-12-5-7-13(8-6-12)17(25)23-15-4-2-3-14(9-15)16(24)22-11-18(19,20)21/h2-9H,10-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyRTCYLXOSIJFWJI-UHFFFAOYSA-N
XLogP4.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-[[4-(methylsulfanylmethyl)benzoyl]amino]benzamide
CID 87006555
N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 17444241
N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 30348708
3-(propan-2-ylcarbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 38024268
N-(3,4-difluorophenyl)-4-(methylsulfanylmethyl)benzamide
CID 9165699
N-(2,2-difluoro-3-hydroxypropyl)-3-(methylsulfanylmethyl)benzamide
CID 104858070
N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 162568619
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 51318010
N-[3-(tert-butylsulfamoyl)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 9107968
N-(3-chlorophenyl)-3-(methylsulfanylmethyl)benzamide
CID 8777105
N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide
CID 7770720
4-(methylsulfanylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2526024

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(methylsulfanylmethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-[[4-(methylsulfanylmethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (CID 18271385) is 3-[[4-(methylsulfanylmethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-[[4-(methylsulfanylmethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-[[4-(methylsulfanylmethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is CSCc1ccc(C(=O)Nc2cccc(C(=O)NCC(F)(F)F)c2)cc1.
What is the InChIKey of 3-[[4-(methylsulfanylmethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is RTCYLXOSIJFWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2S/c1-26-10-12-5-7-13(8-6-12)17(25)23-15-4-2-3-14(9-15)16(24)22-11-18(19,20)21/h2-9H,10-11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 3-[[4-(methylsulfanylmethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
3-[[4-(methylsulfanylmethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 382.41 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(methylsulfanylmethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 18271385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).