N-cycloheptyl-N-methyl-4-(trifluoromethylsulfanyl)benzamide

C16H20F3NOS — CID 55468966

IUPACN-cycloheptyl-N-methyl-4-(trifluoromethylsulfanyl)benzamide
SMILESCN(C(=O)c1ccc(SC(F)(F)F)cc1)C1CCCCCC1
InChIInChI=1S/C16H20F3NOS/c1-20(13-6-4-2-3-5-7-13)15(21)12-8-10-14(11-9-12)22-16(17,18)19/h8-11,13H,2-7H2,1H3
InChIKeyKCHCLYAHGQASIB-UHFFFAOYSA-N
MW331.40 g/mol
LogP5.09
Rot. Bonds3

About N-cycloheptyl-N-methyl-4-(trifluoromethylsulfanyl)benzamide

N-cycloheptyl-N-methyl-4-(trifluoromethylsulfanyl)benzamide (PubChem CID 55468966) has the molecular formula C16H20F3NOS and a molecular weight of 331.40 g/mol. Its IUPAC name is N-cycloheptyl-N-methyl-4-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-cycloheptyl-N-methyl-4-(trifluoromethylsulfanyl)benzamide
PubChem CID55468966
Molecular FormulaC16H20F3NOS
Molecular Weight331.40 g/mol
Exact Mass331.12
IUPAC NameN-cycloheptyl-N-methyl-4-(trifluoromethylsulfanyl)benzamide
SMILESCN(C(=O)c1ccc(SC(F)(F)F)cc1)C1CCCCCC1
InChIInChI=1S/C16H20F3NOS/c1-20(13-6-4-2-3-5-7-13)15(21)12-8-10-14(11-9-12)22-16(17,18)19/h8-11,13H,2-7H2,1H3
InChIKeyKCHCLYAHGQASIB-UHFFFAOYSA-N
XLogP5.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.40
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-4-(difluoromethylsulfanyl)-N-methylbenzamide
CID 55505149
N-cycloheptyl-N-methyl-4-(trifluoromethoxy)benzamide
CID 55469129
N-cyclohexyl-4-hydroxy-N-methylbenzamide
CID 43176625
N-cyclohexyl-4-iodo-N-methylbenzamide
CID 30383969
4-amino-N-cyclohexyl-N-methyl-3-(trifluoromethyl)benzamide
CID 62156411
N-cyclohexyl-4-fluoro-N-methyl-3-sulfanylbenzamide
CID 107020889
N-cycloheptyl-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 134036717
N-cyclopropyl-4-hydroxy-N-methylbenzamide
CID 43265196
N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide
CID 55469731
N-cyclopentyl-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 46772901
3-chloro-N-cycloheptyl-4-iodo-N-methylbenzamide
CID 103221242
3-chloro-N-cycloheptyl-4-hydroxy-N-methylbenzamide
CID 43409239

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-methyl-4-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-cycloheptyl-N-methyl-4-(trifluoromethylsulfanyl)benzamide (CID 55468966) is N-cycloheptyl-N-methyl-4-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-cycloheptyl-N-methyl-4-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-cycloheptyl-N-methyl-4-(trifluoromethylsulfanyl)benzamide is CN(C(=O)c1ccc(SC(F)(F)F)cc1)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N-methyl-4-(trifluoromethylsulfanyl)benzamide?
The InChIKey is KCHCLYAHGQASIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NOS/c1-20(13-6-4-2-3-5-7-13)15(21)12-8-10-14(11-9-12)22-16(17,18)19/h8-11,13H,2-7H2,1H3.
What are the key properties of N-cycloheptyl-N-methyl-4-(trifluoromethylsulfanyl)benzamide?
N-cycloheptyl-N-methyl-4-(trifluoromethylsulfanyl)benzamide has a molecular weight of 331.40 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-methyl-4-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 55468966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).