N-(2-fluoro-4-methylphenyl)-2-methyl-5-sulfanylbenzamide

C15H14FNOS — CID 107021979

IUPACN-(2-fluoro-4-methylphenyl)-2-methyl-5-sulfanylbenzamide
SMILESCc1ccc(NC(=O)c2cc(S)ccc2C)c(F)c1
InChIInChI=1S/C15H14FNOS/c1-9-3-6-14(13(16)7-9)17-15(18)12-8-11(19)5-4-10(12)2/h3-8,19H,1-2H3,(H,17,18)
InChIKeyLMLHRYBMTHDZDQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.98
Rot. Bonds2

About N-(2-fluoro-4-methylphenyl)-2-methyl-5-sulfanylbenzamide

N-(2-fluoro-4-methylphenyl)-2-methyl-5-sulfanylbenzamide (PubChem CID 107021979) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2-methyl-5-sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2-methyl-5-sulfanylbenzamide
PubChem CID107021979
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC NameN-(2-fluoro-4-methylphenyl)-2-methyl-5-sulfanylbenzamide
SMILESCc1ccc(NC(=O)c2cc(S)ccc2C)c(F)c1
InChIInChI=1S/C15H14FNOS/c1-9-3-6-14(13(16)7-9)17-15(18)12-8-11(19)5-4-10(12)2/h3-8,19H,1-2H3,(H,17,18)
InChIKeyLMLHRYBMTHDZDQ-UHFFFAOYSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-sulfanyl-N-(2,4,5-trifluorophenyl)benzamide
CID 107028630
N-(2,4-dimethylphenyl)-2-fluoro-5-sulfanylbenzamide
CID 107020951
4-[(2,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
CID 63189869
N-(4-chloro-2-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 55083427
N-(2-fluoro-4-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 28881726
2,3-difluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 62648850
2-fluoro-N-(4-fluoro-2-methylphenyl)-5-sulfanylbenzamide
CID 107021333
N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide
CID 2549224
2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-sulfanylbenzamide
CID 107037172
2-bromo-N-(4-chloro-2-fluorophenyl)-5-methylbenzamide
CID 80948575
2,5-dimethyl-N-(2-methylphenyl)benzamide
CID 925354
N-(4-iodophenyl)-2-methyl-5-sulfanylbenzamide
CID 107022114

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-2-methyl-5-sulfanylbenzamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2-methyl-5-sulfanylbenzamide (CID 107021979) is N-(2-fluoro-4-methylphenyl)-2-methyl-5-sulfanylbenzamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2-methyl-5-sulfanylbenzamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2-methyl-5-sulfanylbenzamide is Cc1ccc(NC(=O)c2cc(S)ccc2C)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2-methyl-5-sulfanylbenzamide?
The InChIKey is LMLHRYBMTHDZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS/c1-9-3-6-14(13(16)7-9)17-15(18)12-8-11(19)5-4-10(12)2/h3-8,19H,1-2H3,(H,17,18).
What are the key properties of N-(2-fluoro-4-methylphenyl)-2-methyl-5-sulfanylbenzamide?
N-(2-fluoro-4-methylphenyl)-2-methyl-5-sulfanylbenzamide has a molecular weight of 275.35 g/mol, XLogP of 3.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-2-methyl-5-sulfanylbenzamide is sourced from PubChem (CID 107021979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).