N-(4-fluoro-2-methylphenyl)-3-phenyl-2-sulfanylpropanamide

C16H16FNOS — CID 107021334

IUPACN-(4-fluoro-2-methylphenyl)-3-phenyl-2-sulfanylpropanamide
SMILESCc1cc(F)ccc1NC(=O)C(S)Cc1ccccc1
InChIInChI=1S/C16H16FNOS/c1-11-9-13(17)7-8-14(11)18-16(19)15(20)10-12-5-3-2-4-6-12/h2-9,15,20H,10H2,1H3,(H,18,19)
InChIKeyBSKXOWHXWNSDTC-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.61
Rot. Bonds4

About N-(4-fluoro-2-methylphenyl)-3-phenyl-2-sulfanylpropanamide

N-(4-fluoro-2-methylphenyl)-3-phenyl-2-sulfanylpropanamide (PubChem CID 107021334) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-3-phenyl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-3-phenyl-2-sulfanylpropanamide
PubChem CID107021334
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC NameN-(4-fluoro-2-methylphenyl)-3-phenyl-2-sulfanylpropanamide
SMILESCc1cc(F)ccc1NC(=O)C(S)Cc1ccccc1
InChIInChI=1S/C16H16FNOS/c1-11-9-13(17)7-8-14(11)18-16(19)15(20)10-12-5-3-2-4-6-12/h2-9,15,20H,10H2,1H3,(H,18,19)
InChIKeyBSKXOWHXWNSDTC-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.61
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-bromo-5-fluoro-2-methylphenyl)-3-phenyl-2-sulfanylpropanamide
CID 107036110
N-(2-chloro-5-fluorophenyl)-3-phenyl-2-sulfanylpropanamide
CID 107531677
3-phenyl-2-sulfanyl-N-(2,3,5-trifluorophenyl)propanamide
CID 107028642
N-(2-bromo-4-methylphenyl)-3-phenyl-2-sulfanylpropanamide
CID 107019806
N-(2-chloro-4-methylphenyl)-3-phenyl-2-sulfanylpropanamide
CID 107022021
N-(3-fluoro-4-methylphenyl)-3-phenyl-2-sulfanylpropanamide
CID 107021266
N-(5-cyano-2-methylphenyl)-3-phenyl-2-sulfanylpropanamide
CID 107027948
N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 7751880
2-chloro-N-(4-fluoro-2-methylphenyl)-2-phenylacetamide
CID 43212453
3-phenyl-2-sulfanyl-N-(2,4,5-trichlorophenyl)propanamide
CID 107020178
(2S)-N-(4-fluoro-2-methylphenyl)-2-phenylsulfanylpropanamide
CID 8864929
N-(4-bromo-2-chlorophenyl)-3-phenyl-2-sulfanylpropanamide
CID 107022287

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-3-phenyl-2-sulfanylpropanamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-3-phenyl-2-sulfanylpropanamide (CID 107021334) is N-(4-fluoro-2-methylphenyl)-3-phenyl-2-sulfanylpropanamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-3-phenyl-2-sulfanylpropanamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-3-phenyl-2-sulfanylpropanamide is Cc1cc(F)ccc1NC(=O)C(S)Cc1ccccc1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-3-phenyl-2-sulfanylpropanamide?
The InChIKey is BSKXOWHXWNSDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c1-11-9-13(17)7-8-14(11)18-16(19)15(20)10-12-5-3-2-4-6-12/h2-9,15,20H,10H2,1H3,(H,18,19).
What are the key properties of N-(4-fluoro-2-methylphenyl)-3-phenyl-2-sulfanylpropanamide?
N-(4-fluoro-2-methylphenyl)-3-phenyl-2-sulfanylpropanamide has a molecular weight of 289.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-3-phenyl-2-sulfanylpropanamide is sourced from PubChem (CID 107021334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).