N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide

C17H18FNOS — CID 7546514

IUPACN-(3,5-dimethylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
SMILESCc1cc(C)cc(NC(=O)CCSc2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNOS/c1-12-9-13(2)11-15(10-12)19-17(20)7-8-21-16-5-3-14(18)4-6-16/h3-6,9-11H,7-8H2,1-2H3,(H,19,20)
InChIKeyPNMGVWIYNQKUAW-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.56
Rot. Bonds5

About N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide

N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide (PubChem CID 7546514) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
PubChem CID7546514
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC NameN-(3,5-dimethylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
SMILESCc1cc(C)cc(NC(=O)CCSc2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNOS/c1-12-9-13(2)11-15(10-12)19-17(20)7-8-21-16-5-3-14(18)4-6-16/h3-6,9-11H,7-8H2,1-2H3,(H,19,20)
InChIKeyPNMGVWIYNQKUAW-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546484
N-(3,5-dimethylphenyl)-3-(4-nitrophenyl)sulfanylpropanamide
CID 926016
N-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutanamide
CID 41086197
1-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-(4-methylphenyl)urea
CID 51179263
N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23973490
N-(3,5-dimethylphenyl)-3-(4-fluoroanilino)propanamide
CID 109035607
N-(4-amino-2-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 29034745
N-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 30898777
N-(3-amino-4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 29034872
N-(5-acetamido-2-chlorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 55916977
N-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 544368
N-(4-acetamidophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23889516

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide (CID 7546514) is N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide is Cc1cc(C)cc(NC(=O)CCSc2ccc(F)cc2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide?
The InChIKey is PNMGVWIYNQKUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c1-12-9-13(2)11-15(10-12)19-17(20)7-8-21-16-5-3-14(18)4-6-16/h3-6,9-11H,7-8H2,1-2H3,(H,19,20).
What are the key properties of N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide?
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide has a molecular weight of 303.40 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 7546514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).