N-methyl-2-propylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide

C18H24F3NO3S — CID 126808400

IUPACN-methyl-2-propylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)N(C)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C18H24F3NO3S/c1-3-12-26(24,25)16-7-5-4-6-15(16)17(23)22(2)14-10-8-13(9-11-14)18(19,20)21/h4-7,13-14H,3,8-12H2,1-2H3
InChIKeyNCFFKPDFIUNMGK-UHFFFAOYSA-N
MW391.46 g/mol
LogP4.06
Rot. Bonds5

About N-methyl-2-propylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide

N-methyl-2-propylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide (PubChem CID 126808400) has the molecular formula C18H24F3NO3S and a molecular weight of 391.46 g/mol. Its IUPAC name is N-methyl-2-propylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide.

Molecular Properties

Compound NameN-methyl-2-propylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
PubChem CID126808400
Molecular FormulaC18H24F3NO3S
Molecular Weight391.46 g/mol
Exact Mass391.14
IUPAC NameN-methyl-2-propylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)N(C)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C18H24F3NO3S/c1-3-12-26(24,25)16-7-5-4-6-15(16)17(23)22(2)14-10-8-13(9-11-14)18(19,20)21/h4-7,13-14H,3,8-12H2,1-2H3
InChIKeyNCFFKPDFIUNMGK-UHFFFAOYSA-N
XLogP4.06
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 126809231
N-methyl-N-(4-methylphenyl)-2-propylsulfonylbenzamide
CID 52850935
N-cyclopropyl-N-methyl-2-(propylamino)benzamide
CID 62169629
N-ethyl-N-(2-ethylbutyl)-2-propylsulfonylbenzamide
CID 60621588
N-[3-(dimethylamino)propyl]-2-propylsulfonylbenzamide
CID 17224742
N-ethyl-N-[(3-fluorophenyl)methyl]-2-propylsulfonylbenzamide
CID 55669173
2-[(2-propylsulfonylbenzoyl)amino]acetic acid
CID 119171610
N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide
CID 55469731
2,2-dimethyl-3-[(2-propylsulfonylbenzoyl)amino]propanoic acid
CID 119250169
2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513205
N-(cyanomethyl)-2-propylsulfonylbenzamide
CID 17224796
N-cyclobutyl-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 113252164

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
The IUPAC name of N-methyl-2-propylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide (CID 126808400) is N-methyl-2-propylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide.
What is the SMILES notation for N-methyl-2-propylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
The canonical SMILES for N-methyl-2-propylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide is CCCS(=O)(=O)c1ccccc1C(=O)N(C)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-methyl-2-propylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
The InChIKey is NCFFKPDFIUNMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3NO3S/c1-3-12-26(24,25)16-7-5-4-6-15(16)17(23)22(2)14-10-8-13(9-11-14)18(19,20)21/h4-7,13-14H,3,8-12H2,1-2H3.
What are the key properties of N-methyl-2-propylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
N-methyl-2-propylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide has a molecular weight of 391.46 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide is sourced from PubChem (CID 126808400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).