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

C18H24F3NO3S — CID 126809231

IUPACN-methyl-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
SMILESCC(C)S(=O)(=O)c1ccccc1C(=O)N(C)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C18H24F3NO3S/c1-12(2)26(24,25)16-7-5-4-6-15(16)17(23)22(3)14-10-8-13(9-11-14)18(19,20)21/h4-7,12-14H,8-11H2,1-3H3
InChIKeyQZKNOHGHPNRPKO-UHFFFAOYSA-N
MW391.46 g/mol
LogP4.06
Rot. Bonds4

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

N-methyl-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide (PubChem CID 126809231) has the molecular formula C18H24F3NO3S and a molecular weight of 391.46 g/mol. Its IUPAC name is N-methyl-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide.

Molecular Properties

Compound NameN-methyl-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
PubChem CID126809231
Molecular FormulaC18H24F3NO3S
Molecular Weight391.46 g/mol
Exact Mass391.14
IUPAC NameN-methyl-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
SMILESCC(C)S(=O)(=O)c1ccccc1C(=O)N(C)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C18H24F3NO3S/c1-12(2)26(24,25)16-7-5-4-6-15(16)17(23)22(3)14-10-8-13(9-11-14)18(19,20)21/h4-7,12-14H,8-11H2,1-3H3
InChIKeyQZKNOHGHPNRPKO-UHFFFAOYSA-N
XLogP4.06
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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-propylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 126808400
N-methyl-2-propan-2-ylsulfonyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 124613861
N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide
CID 55469731
N-cyclohexyl-2-[cyclopropyl(methyl)amino]-N-methylbenzamide
CID 174458205
N-cyclobutyl-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 113252164
N-ethyl-N-(2-ethylbutyl)-2-propan-2-ylsulfonylbenzamide
CID 60621557
N-[(2-chlorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylbenzamide
CID 39914084
N-methyl-N-[4-(methylamino)cyclohexyl]-2-methylsulfanylbenzamide
CID 79217283
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-propan-2-ylsulfonylbenzamide
CID 39899496
2-amino-N-cyclobutyl-N-methylbenzamide
CID 115747527
N-(2-amino-2-methylpropyl)-2-propan-2-ylsulfonylbenzamide;hydrochloride
CID 119629770
N-(4-aminocyclohexyl)-2-fluoro-N,3-dimethylbenzamide
CID 81480735

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
The IUPAC name of N-methyl-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide (CID 126809231) is N-methyl-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide.
What is the SMILES notation for N-methyl-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
The canonical SMILES for N-methyl-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide is CC(C)S(=O)(=O)c1ccccc1C(=O)N(C)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-methyl-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
The InChIKey is QZKNOHGHPNRPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3NO3S/c1-12(2)26(24,25)16-7-5-4-6-15(16)17(23)22(3)14-10-8-13(9-11-14)18(19,20)21/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of N-methyl-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
N-methyl-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide has a molecular weight of 391.46 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide is sourced from PubChem (CID 126809231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).