N-(4-fluoro-3-methylphenyl)-2-(4-sulfanylphenyl)acetamide

C15H14FNOS — CID 107028667

IUPACN-(4-fluoro-3-methylphenyl)-2-(4-sulfanylphenyl)acetamide
SMILESCc1cc(NC(=O)Cc2ccc(S)cc2)ccc1F
InChIInChI=1S/C15H14FNOS/c1-10-8-12(4-7-14(10)16)17-15(18)9-11-2-5-13(19)6-3-11/h2-8,19H,9H2,1H3,(H,17,18)
InChIKeyKZCHDNRNXVIQOE-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.60
Rot. Bonds3

About N-(4-fluoro-3-methylphenyl)-2-(4-sulfanylphenyl)acetamide

N-(4-fluoro-3-methylphenyl)-2-(4-sulfanylphenyl)acetamide (PubChem CID 107028667) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-2-(4-sulfanylphenyl)acetamide
PubChem CID107028667
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC NameN-(4-fluoro-3-methylphenyl)-2-(4-sulfanylphenyl)acetamide
SMILESCc1cc(NC(=O)Cc2ccc(S)cc2)ccc1F
InChIInChI=1S/C15H14FNOS/c1-10-8-12(4-7-14(10)16)17-15(18)9-11-2-5-13(19)6-3-11/h2-8,19H,9H2,1H3,(H,17,18)
InChIKeyKZCHDNRNXVIQOE-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.60
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

N-(4-fluoro-3-methylphenyl)-3-methylbutanamide
CID 110776354
N-(3,4-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107020559
3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride
CID 75530834
N-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 4798945
N,2-bis(3,4-dimethylphenyl)acetamide
CID 2600237
4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride
CID 119280533
3-amino-N-(4-fluoro-3-methylphenyl)-3-hydroxyiminopropanamide
CID 76949808
N-(3,4-difluorophenyl)-2-(6-methyl-3-pyridinyl)acetamide
CID 71940458
2-(4-bromophenyl)-N-(3,4-dimethylphenyl)acetamide
CID 2268328
N-(2,5-dimethylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107020877
N-(3,4-dimethylphenyl)-2-pyridin-4-ylacetamide
CID 110697303
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-fluoro-3-methylphenyl)acetamide
CID 62812228

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-2-(4-sulfanylphenyl)acetamide (CID 107028667) is N-(4-fluoro-3-methylphenyl)-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-2-(4-sulfanylphenyl)acetamide is Cc1cc(NC(=O)Cc2ccc(S)cc2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-2-(4-sulfanylphenyl)acetamide?
The InChIKey is KZCHDNRNXVIQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS/c1-10-8-12(4-7-14(10)16)17-15(18)9-11-2-5-13(19)6-3-11/h2-8,19H,9H2,1H3,(H,17,18).
What are the key properties of N-(4-fluoro-3-methylphenyl)-2-(4-sulfanylphenyl)acetamide?
N-(4-fluoro-3-methylphenyl)-2-(4-sulfanylphenyl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107028667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).