N-(2-fluoro-5-methylphenyl)-2-methoxy-4-methylsulfanylbenzamide

C16H16FNO2S — CID 2995158

IUPACN-(2-fluoro-5-methylphenyl)-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1cc(C)ccc1F
InChIInChI=1S/C16H16FNO2S/c1-10-4-7-13(17)14(8-10)18-16(19)12-6-5-11(21-3)9-15(12)20-2/h4-9H,1-3H3,(H,18,19)
InChIKeyDMAWQSBVEFQMKU-UHFFFAOYSA-N
MW305.37 g/mol
LogP4.12
Rot. Bonds4

About N-(2-fluoro-5-methylphenyl)-2-methoxy-4-methylsulfanylbenzamide

N-(2-fluoro-5-methylphenyl)-2-methoxy-4-methylsulfanylbenzamide (PubChem CID 2995158) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-2-methoxy-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-2-methoxy-4-methylsulfanylbenzamide
PubChem CID2995158
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC NameN-(2-fluoro-5-methylphenyl)-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1cc(C)ccc1F
InChIInChI=1S/C16H16FNO2S/c1-10-4-7-13(17)14(8-10)18-16(19)12-6-5-11(21-3)9-15(12)20-2/h4-9H,1-3H3,(H,18,19)
InChIKeyDMAWQSBVEFQMKU-UHFFFAOYSA-N
XLogP4.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-fluoro-5-methylphenyl)-2-methoxy-4-methylsulfanylbenzamide 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

N-(2-fluoro-5-methylphenyl)-2,4-dimethoxybenzamide
CID 16546475
N-(2-fluoro-5-methylphenyl)-2,4,5-trimethoxybenzamide
CID 26881977
N-(2-fluoro-5-methylphenyl)-2-methyl-5-methylsulfanylbenzamide
CID 47148805
N-(3,4-dimethylphenyl)-2-methoxy-4-methylsulfanylbenzamide
CID 842703
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 8014054
2-methoxy-N-[(4-methylphenyl)methyl]-4-methylsulfanylbenzamide
CID 670832
N-(2-fluoro-5-methylphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 35606335
2-methoxy-4-methylsulfanyl-N-propan-2-ylbenzamide
CID 669888
N-(5-chloro-2-fluorophenyl)-2-methoxybenzamide
CID 8759235
N-(5-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzamide
CID 79770618
4-fluoro-N-(2-fluoro-5-methylphenyl)-2-methylbenzamide
CID 112702327
N-(5-chloro-2-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 79770803

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-2-methoxy-4-methylsulfanylbenzamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-2-methoxy-4-methylsulfanylbenzamide (CID 2995158) is N-(2-fluoro-5-methylphenyl)-2-methoxy-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-2-methoxy-4-methylsulfanylbenzamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-2-methoxy-4-methylsulfanylbenzamide is COc1cc(SC)ccc1C(=O)Nc1cc(C)ccc1F.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-2-methoxy-4-methylsulfanylbenzamide?
The InChIKey is DMAWQSBVEFQMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-10-4-7-13(17)14(8-10)18-16(19)12-6-5-11(21-3)9-15(12)20-2/h4-9H,1-3H3,(H,18,19).
What are the key properties of N-(2-fluoro-5-methylphenyl)-2-methoxy-4-methylsulfanylbenzamide?
N-(2-fluoro-5-methylphenyl)-2-methoxy-4-methylsulfanylbenzamide has a molecular weight of 305.37 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-2-methoxy-4-methylsulfanylbenzamide is sourced from PubChem (CID 2995158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).