3-(methylsulfanylmethyl)-N-[4-(trifluoromethyl)cyclohexyl]benzamide

C16H20F3NOS — CID 43052123

IUPAC3-(methylsulfanylmethyl)-N-[4-(trifluoromethyl)cyclohexyl]benzamide
SMILESCSCc1cccc(C(=O)NC2CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C16H20F3NOS/c1-22-10-11-3-2-4-12(9-11)15(21)20-14-7-5-13(6-8-14)16(17,18)19/h2-4,9,13-14H,5-8,10H2,1H3,(H,20,21)
InChIKeyIAVOXBBHRMJNIX-UHFFFAOYSA-N
MW331.40 g/mol
LogP4.40
Rot. Bonds4

About 3-(methylsulfanylmethyl)-N-[4-(trifluoromethyl)cyclohexyl]benzamide

3-(methylsulfanylmethyl)-N-[4-(trifluoromethyl)cyclohexyl]benzamide (PubChem CID 43052123) has the molecular formula C16H20F3NOS and a molecular weight of 331.40 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)-N-[4-(trifluoromethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)-N-[4-(trifluoromethyl)cyclohexyl]benzamide
PubChem CID43052123
Molecular FormulaC16H20F3NOS
Molecular Weight331.40 g/mol
Exact Mass331.12
IUPAC Name3-(methylsulfanylmethyl)-N-[4-(trifluoromethyl)cyclohexyl]benzamide
SMILESCSCc1cccc(C(=O)NC2CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C16H20F3NOS/c1-22-10-11-3-2-4-12(9-11)15(21)20-14-7-5-13(6-8-14)16(17,18)19/h2-4,9,13-14H,5-8,10H2,1H3,(H,20,21)
InChIKeyIAVOXBBHRMJNIX-UHFFFAOYSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]benzoate
CID 47048188
N-(2,2-difluoro-3-hydroxypropyl)-3-(methylsulfanylmethyl)benzamide
CID 104858070
N-ethyl-3-(methylsulfanylmethyl)benzamide
CID 60667675
3-bromo-4-fluoro-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 103706617
3-(chloromethyl)-N-(4-propylcyclohexyl)benzamide
CID 63463700
N'-(cyclohexanecarbonyl)-3-(methylsulfanylmethyl)benzohydrazide
CID 9327285
3,5-dibromo-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 107980263
3-tert-butyl-N-cyclopropylbenzamide
CID 59732225
N-cyclohexyl-3-(hydroxymethyl)benzamide
CID 91471935
4-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide;hydrochloride
CID 119701795
2-fluoro-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 80710862
1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050687

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
The IUPAC name of 3-(methylsulfanylmethyl)-N-[4-(trifluoromethyl)cyclohexyl]benzamide (CID 43052123) is 3-(methylsulfanylmethyl)-N-[4-(trifluoromethyl)cyclohexyl]benzamide.
What is the SMILES notation for 3-(methylsulfanylmethyl)-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
The canonical SMILES for 3-(methylsulfanylmethyl)-N-[4-(trifluoromethyl)cyclohexyl]benzamide is CSCc1cccc(C(=O)NC2CCC(C(F)(F)F)CC2)c1.
What is the InChIKey of 3-(methylsulfanylmethyl)-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
The InChIKey is IAVOXBBHRMJNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NOS/c1-22-10-11-3-2-4-12(9-11)15(21)20-14-7-5-13(6-8-14)16(17,18)19/h2-4,9,13-14H,5-8,10H2,1H3,(H,20,21).
What are the key properties of 3-(methylsulfanylmethyl)-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
3-(methylsulfanylmethyl)-N-[4-(trifluoromethyl)cyclohexyl]benzamide has a molecular weight of 331.40 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)-N-[4-(trifluoromethyl)cyclohexyl]benzamide is sourced from PubChem (CID 43052123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).