4-fluoro-3-methoxy-N-methyl-N-(2-methylsulfonylcyclohexyl)benzamide

C16H22FNO4S — CID 122145136

IUPAC4-fluoro-3-methoxy-N-methyl-N-(2-methylsulfonylcyclohexyl)benzamide
SMILESCOc1cc(C(=O)N(C)C2CCCCC2S(C)(=O)=O)ccc1F
InChIInChI=1S/C16H22FNO4S/c1-18(13-6-4-5-7-15(13)23(3,20)21)16(19)11-8-9-12(17)14(10-11)22-2/h8-10,13,15H,4-7H2,1-3H3
InChIKeyLQUNMJSJVRQKOF-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.26
Rot. Bonds4

About 4-fluoro-3-methoxy-N-methyl-N-(2-methylsulfonylcyclohexyl)benzamide

4-fluoro-3-methoxy-N-methyl-N-(2-methylsulfonylcyclohexyl)benzamide (PubChem CID 122145136) has the molecular formula C16H22FNO4S and a molecular weight of 343.42 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-methyl-N-(2-methylsulfonylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-methyl-N-(2-methylsulfonylcyclohexyl)benzamide
PubChem CID122145136
Molecular FormulaC16H22FNO4S
Molecular Weight343.42 g/mol
Exact Mass343.13
IUPAC Name4-fluoro-3-methoxy-N-methyl-N-(2-methylsulfonylcyclohexyl)benzamide
SMILESCOc1cc(C(=O)N(C)C2CCCCC2S(C)(=O)=O)ccc1F
InChIInChI=1S/C16H22FNO4S/c1-18(13-6-4-5-7-15(13)23(3,20)21)16(19)11-8-9-12(17)14(10-11)22-2/h8-10,13,15H,4-7H2,1-3H3
InChIKeyLQUNMJSJVRQKOF-UHFFFAOYSA-N
XLogP2.26
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-3-methoxy-N-methyl-N-(2-methylsulfonylcyclohexyl)benzamide 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-[methyl-[(1S,2S)-2-methylsulfonylcyclohexyl]carbamoyl]benzoic acid
CID 125132908
N-(azepan-4-yl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 107172564
N-(azetidin-3-yl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 81284942
N-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethoxy-N-methylbenzamide
CID 27261505
N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide
CID 165361669
5-[methyl-[(1S,2R)-2-methylsulfonylcyclohexyl]carbamoyl]pyridine-2-carboxylic acid
CID 125119082
2-chloro-4-fluoro-N-methyl-N-[(1S,2R)-2-methylsulfonylcyclohexyl]benzamide
CID 96508504
3,4-difluoro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102635266
N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[(1R,2R)-2-methylsulfonylcyclohexyl]benzamide
CID 124736707
N-(2-aminocyclohexyl)-3-methoxy-N,4-dimethylbenzamide
CID 102638874
N-(2-hydroxycyclohexyl)-4-methoxy-N,3-dimethylbenzamide
CID 56922697
N-[(1R,2S)-2-hydroxycyclohexyl]-4-methoxy-N,3-dimethylbenzamide
CID 95877860

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-methyl-N-(2-methylsulfonylcyclohexyl)benzamide?
The IUPAC name of 4-fluoro-3-methoxy-N-methyl-N-(2-methylsulfonylcyclohexyl)benzamide (CID 122145136) is 4-fluoro-3-methoxy-N-methyl-N-(2-methylsulfonylcyclohexyl)benzamide.
What is the SMILES notation for 4-fluoro-3-methoxy-N-methyl-N-(2-methylsulfonylcyclohexyl)benzamide?
The canonical SMILES for 4-fluoro-3-methoxy-N-methyl-N-(2-methylsulfonylcyclohexyl)benzamide is COc1cc(C(=O)N(C)C2CCCCC2S(C)(=O)=O)ccc1F.
What is the InChIKey of 4-fluoro-3-methoxy-N-methyl-N-(2-methylsulfonylcyclohexyl)benzamide?
The InChIKey is LQUNMJSJVRQKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO4S/c1-18(13-6-4-5-7-15(13)23(3,20)21)16(19)11-8-9-12(17)14(10-11)22-2/h8-10,13,15H,4-7H2,1-3H3.
What are the key properties of 4-fluoro-3-methoxy-N-methyl-N-(2-methylsulfonylcyclohexyl)benzamide?
4-fluoro-3-methoxy-N-methyl-N-(2-methylsulfonylcyclohexyl)benzamide has a molecular weight of 343.42 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-methyl-N-(2-methylsulfonylcyclohexyl)benzamide is sourced from PubChem (CID 122145136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).