N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfanylpropanamide

C17H18FNOS — CID 26796353

IUPACN-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNOS/c1-13-2-8-16(9-3-13)21-11-10-17(20)19-12-14-4-6-15(18)7-5-14/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyNNZPTKZHENAJDD-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.93
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfanylpropanamide

N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfanylpropanamide (PubChem CID 26796353) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfanylpropanamide
PubChem CID26796353
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNOS/c1-13-2-8-16(9-3-13)21-11-10-17(20)19-12-14-4-6-15(18)7-5-14/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyNNZPTKZHENAJDD-UHFFFAOYSA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 883208
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 2583503
3-(4-methylphenyl)sulfanyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385943
3-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 100530141
3-(4-methylphenyl)sulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 30380045
N-ethyl-3-(4-methylphenyl)sulfanylpropanamide
CID 962016
N-[(4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2629170
1-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-(4-methylphenyl)urea
CID 51179263
2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 3324372
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 86950662
3-(4-chlorophenyl)sulfanyl-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide
CID 26266197
N-[(4-methylphenyl)methyl]butanamide
CID 835678

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfanylpropanamide (CID 26796353) is N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(SCCC(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is NNZPTKZHENAJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c1-13-2-8-16(9-3-13)21-11-10-17(20)19-12-14-4-6-15(18)7-5-14/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfanylpropanamide?
N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 303.40 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 26796353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).