N-(2-fluoro-5-methylphenyl)-2-methyl-3-phenylsulfanylpropanamide

C17H18FNOS — CID 86933371

IUPACN-(2-fluoro-5-methylphenyl)-2-methyl-3-phenylsulfanylpropanamide
SMILESCc1ccc(F)c(NC(=O)C(C)CSc2ccccc2)c1
InChIInChI=1S/C17H18FNOS/c1-12-8-9-15(18)16(10-12)19-17(20)13(2)11-21-14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,19,20)
InChIKeyQNDXTRINCSFYKS-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.50
Rot. Bonds5

About N-(2-fluoro-5-methylphenyl)-2-methyl-3-phenylsulfanylpropanamide

N-(2-fluoro-5-methylphenyl)-2-methyl-3-phenylsulfanylpropanamide (PubChem CID 86933371) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-2-methyl-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-2-methyl-3-phenylsulfanylpropanamide
PubChem CID86933371
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC NameN-(2-fluoro-5-methylphenyl)-2-methyl-3-phenylsulfanylpropanamide
SMILESCc1ccc(F)c(NC(=O)C(C)CSc2ccccc2)c1
InChIInChI=1S/C17H18FNOS/c1-12-8-9-15(18)16(10-12)19-17(20)13(2)11-21-14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,19,20)
InChIKeyQNDXTRINCSFYKS-UHFFFAOYSA-N
XLogP4.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86933520
2-ethyl-N-(2-fluoro-5-methylphenyl)butanamide
CID 52892789
3-fluoro-4-methyl-N-[2-[(2-methyl-3-phenylsulfanylpropanoyl)amino]ethyl]benzamide
CID 86933555
3-[(2-fluoro-5-methylphenyl)carbamoylamino]butanoic acid
CID 61194813
(2S)-2-[(2-fluoro-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 61196510
(2S)-2-amino-N-(2-fluoro-5-methylphenyl)butanamide
CID 79025128
1-(2-fluoro-5-methylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61346848
(2S)-N-(2-fluoro-5-methylphenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 46635623
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86933446
2-methyl-N-[2-(methylamino)propyl]-3-phenylsulfanylpropanamide;hydrochloride
CID 120830198
2-methyl-N-[(2-methylphenyl)methyl]-3-phenylsulfanylpropanamide
CID 86933457
N-(5-amino-2-fluorophenyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 61242685

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-2-methyl-3-phenylsulfanylpropanamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-2-methyl-3-phenylsulfanylpropanamide (CID 86933371) is N-(2-fluoro-5-methylphenyl)-2-methyl-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-2-methyl-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-2-methyl-3-phenylsulfanylpropanamide is Cc1ccc(F)c(NC(=O)C(C)CSc2ccccc2)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-2-methyl-3-phenylsulfanylpropanamide?
The InChIKey is QNDXTRINCSFYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c1-12-8-9-15(18)16(10-12)19-17(20)13(2)11-21-14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,19,20).
What are the key properties of N-(2-fluoro-5-methylphenyl)-2-methyl-3-phenylsulfanylpropanamide?
N-(2-fluoro-5-methylphenyl)-2-methyl-3-phenylsulfanylpropanamide has a molecular weight of 303.40 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-2-methyl-3-phenylsulfanylpropanamide is sourced from PubChem (CID 86933371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).