N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-phenylsulfanylacetamide

C18H18FNOS — CID 78810506

IUPACN-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C18H18FNOS/c19-17-9-5-4-6-14(17)12-20(15-10-11-15)18(21)13-22-16-7-2-1-3-8-16/h1-9,15H,10-13H2
InChIKeyWYUWVMPJQJXBEO-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.11
Rot. Bonds6

About N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-phenylsulfanylacetamide

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-phenylsulfanylacetamide (PubChem CID 78810506) has the molecular formula C18H18FNOS and a molecular weight of 315.41 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-phenylsulfanylacetamide
PubChem CID78810506
Molecular FormulaC18H18FNOS
Molecular Weight315.41 g/mol
Exact Mass315.11
IUPAC NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C18H18FNOS/c19-17-9-5-4-6-14(17)12-20(15-10-11-15)18(21)13-22-16-7-2-1-3-8-16/h1-9,15H,10-13H2
InChIKeyWYUWVMPJQJXBEO-UHFFFAOYSA-N
XLogP4.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119272337
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8809756
2-(1-adamantylsulfanyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide
CID 8513553
N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 60666172
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8731296
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 54869271
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119272346
1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 134013706
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8793064
N-cyclopropyl-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 8916913
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 134013781
N-cyclopropyl-3-(cyclopropylamino)-N-[(2-fluorophenyl)methyl]propanamide
CID 60936622

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-phenylsulfanylacetamide (CID 78810506) is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-phenylsulfanylacetamide?
The InChIKey is WYUWVMPJQJXBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNOS/c19-17-9-5-4-6-14(17)12-20(15-10-11-15)18(21)13-22-16-7-2-1-3-8-16/h1-9,15H,10-13H2.
What are the key properties of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-phenylsulfanylacetamide?
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-phenylsulfanylacetamide has a molecular weight of 315.41 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 78810506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).