N-cycloheptyl-4-(difluoromethylsulfanyl)-N-methylbenzamide

C16H21F2NOS — CID 55505149

IUPACN-cycloheptyl-4-(difluoromethylsulfanyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(SC(F)F)cc1)C1CCCCCC1
InChIInChI=1S/C16H21F2NOS/c1-19(13-6-4-2-3-5-7-13)15(20)12-8-10-14(11-9-12)21-16(17)18/h8-11,13,16H,2-7H2,1H3
InChIKeyIQUITVQLIGGOLC-UHFFFAOYSA-N
MW313.41 g/mol
LogP4.80
Rot. Bonds4

About N-cycloheptyl-4-(difluoromethylsulfanyl)-N-methylbenzamide

N-cycloheptyl-4-(difluoromethylsulfanyl)-N-methylbenzamide (PubChem CID 55505149) has the molecular formula C16H21F2NOS and a molecular weight of 313.41 g/mol. Its IUPAC name is N-cycloheptyl-4-(difluoromethylsulfanyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-cycloheptyl-4-(difluoromethylsulfanyl)-N-methylbenzamide
PubChem CID55505149
Molecular FormulaC16H21F2NOS
Molecular Weight313.41 g/mol
Exact Mass313.13
IUPAC NameN-cycloheptyl-4-(difluoromethylsulfanyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(SC(F)F)cc1)C1CCCCCC1
InChIInChI=1S/C16H21F2NOS/c1-19(13-6-4-2-3-5-7-13)15(20)12-8-10-14(11-9-12)21-16(17)18/h8-11,13,16H,2-7H2,1H3
InChIKeyIQUITVQLIGGOLC-UHFFFAOYSA-N
XLogP4.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-cycloheptyl-4-(difluoromethylsulfanyl)-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(difluoromethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552534
N-cycloheptyl-N-methyl-4-(trifluoromethylsulfanyl)benzamide
CID 55468966
N-cyclohexyl-4-hydroxy-N-methylbenzamide
CID 43176625
N-cyclohexyl-4-iodo-N-methylbenzamide
CID 30383969
N-cycloheptyl-N-methyl-4-(trifluoromethoxy)benzamide
CID 55469129
N-cyclohexyl-4-fluoro-N-methyl-3-sulfanylbenzamide
CID 107020889
4-(difluoromethylsulfanyl)-N-piperidin-4-yl-N-propylbenzamide
CID 119824836
N-cyclopropyl-4-hydroxy-N-methylbenzamide
CID 43265196
N-cyclohexyl-N-methyl-4-(3-methylbutoxy)benzamide
CID 4948247
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-4-(difluoromethylsulfanyl)-N-methylbenzamide?
The IUPAC name of N-cycloheptyl-4-(difluoromethylsulfanyl)-N-methylbenzamide (CID 55505149) is N-cycloheptyl-4-(difluoromethylsulfanyl)-N-methylbenzamide.
What is the SMILES notation for N-cycloheptyl-4-(difluoromethylsulfanyl)-N-methylbenzamide?
The canonical SMILES for N-cycloheptyl-4-(difluoromethylsulfanyl)-N-methylbenzamide is CN(C(=O)c1ccc(SC(F)F)cc1)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-4-(difluoromethylsulfanyl)-N-methylbenzamide?
The InChIKey is IQUITVQLIGGOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NOS/c1-19(13-6-4-2-3-5-7-13)15(20)12-8-10-14(11-9-12)21-16(17)18/h8-11,13,16H,2-7H2,1H3.
What are the key properties of N-cycloheptyl-4-(difluoromethylsulfanyl)-N-methylbenzamide?
N-cycloheptyl-4-(difluoromethylsulfanyl)-N-methylbenzamide has a molecular weight of 313.41 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-(difluoromethylsulfanyl)-N-methylbenzamide is sourced from PubChem (CID 55505149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).