N-[1-(3,4-dimethylphenyl)propyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide

C20H24FNOS — CID 132652658

IUPACN-[1-(3,4-dimethylphenyl)propyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
SMILESCCC(NC(=O)CSCc1ccc(F)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C20H24FNOS/c1-4-19(17-8-5-14(2)15(3)11-17)22-20(23)13-24-12-16-6-9-18(21)10-7-16/h5-11,19H,4,12-13H2,1-3H3,(H,22,23)
InChIKeyWHSBTZHIRQADIQ-UHFFFAOYSA-N
MW345.48 g/mol
LogP4.94
Rot. Bonds7

About N-[1-(3,4-dimethylphenyl)propyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide

N-[1-(3,4-dimethylphenyl)propyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide (PubChem CID 132652658) has the molecular formula C20H24FNOS and a molecular weight of 345.48 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)propyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)propyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
PubChem CID132652658
Molecular FormulaC20H24FNOS
Molecular Weight345.48 g/mol
Exact Mass345.16
IUPAC NameN-[1-(3,4-dimethylphenyl)propyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
SMILESCCC(NC(=O)CSCc1ccc(F)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C20H24FNOS/c1-4-19(17-8-5-14(2)15(3)11-17)22-20(23)13-24-12-16-6-9-18(21)10-7-16/h5-11,19H,4,12-13H2,1-3H3,(H,22,23)
InChIKeyWHSBTZHIRQADIQ-UHFFFAOYSA-N
XLogP4.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methylphenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 94016651
N-[1-(3,4-dimethoxyphenyl)propyl]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 132659077
2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 92672507
2-benzylsulfanyl-N-[(1S)-1-phenylpropyl]acetamide
CID 30381565
N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 132652315
(E)-N-[(1S)-1-(3,4-dimethylphenyl)propyl]-3-(4-fluorophenyl)prop-2-enamide
CID 99996485
2-[(4-bromophenyl)methylsulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 28634214
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133202334
2-(4-chloro-2-fluorophenyl)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 133161430
2-(3,4-dimethylphenyl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 132760177
2-[(4-fluorophenyl)methylsulfanyl]-N-(4-hydroxybutan-2-yl)acetamide
CID 115283509
1-(3,4-dimethylphenyl)-3-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]thiourea
CID 17373655

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)propyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)propyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide (CID 132652658) is N-[1-(3,4-dimethylphenyl)propyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)propyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)propyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide is CCC(NC(=O)CSCc1ccc(F)cc1)c1ccc(C)c(C)c1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)propyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
The InChIKey is WHSBTZHIRQADIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNOS/c1-4-19(17-8-5-14(2)15(3)11-17)22-20(23)13-24-12-16-6-9-18(21)10-7-16/h5-11,19H,4,12-13H2,1-3H3,(H,22,23).
What are the key properties of N-[1-(3,4-dimethylphenyl)propyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
N-[1-(3,4-dimethylphenyl)propyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide has a molecular weight of 345.48 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)propyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 132652658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).