N-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide

C15H14FNOS — CID 2501507

IUPACN-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
SMILESCc1ccc(F)cc1NC(=O)CSc1ccccc1
InChIInChI=1S/C15H14FNOS/c1-11-7-8-12(16)9-14(11)17-15(18)10-19-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,17,18)
InChIKeyBQBPECDJHQGEEG-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.86
Rot. Bonds4

About N-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide

N-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide (PubChem CID 2501507) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
PubChem CID2501507
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
SMILESCc1ccc(F)cc1NC(=O)CSc1ccccc1
InChIInChI=1S/C15H14FNOS/c1-11-7-8-12(16)9-14(11)17-15(18)10-19-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,17,18)
InChIKeyBQBPECDJHQGEEG-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-aminophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
CID 79134564
N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
CID 103274665
2-(2-amino-3-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
CID 79130947
2-amino-N-(5-fluoro-2-methylphenyl)acetamide
CID 24700155
2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 7228803
N-(4-fluorophenyl)-2-phenylsulfanylacetamide
CID 532041
2-(4-bromophenyl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide
CID 7924484
N-(5-fluoro-2-methylphenyl)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2529169
N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide
CID 9211846
N-(5-fluoro-2-methylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4600871
N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 66127421
2-phenylsulfanyl-N-(2,4,6-trifluorophenyl)acetamide
CID 167825999

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide (CID 2501507) is N-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide is Cc1ccc(F)cc1NC(=O)CSc1ccccc1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide?
The InChIKey is BQBPECDJHQGEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS/c1-11-7-8-12(16)9-14(11)17-15(18)10-19-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide?
N-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide has a molecular weight of 275.35 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 2501507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).