N-(4-ethylsulfanylphenyl)-2-fluoro-1-methylcyclopropane-1-carboxamide

C13H16FNOS — CID 70584012

IUPACN-(4-ethylsulfanylphenyl)-2-fluoro-1-methylcyclopropane-1-carboxamide
SMILESCCSc1ccc(NC(=O)C2(C)CC2F)cc1
InChIInChI=1S/C13H16FNOS/c1-3-17-10-6-4-9(5-7-10)15-12(16)13(2)8-11(13)14/h4-7,11H,3,8H2,1-2H3,(H,15,16)
InChIKeyYCOVVTDHDWXAAI-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.49
Rot. Bonds4

About N-(4-ethylsulfanylphenyl)-2-fluoro-1-methylcyclopropane-1-carboxamide

N-(4-ethylsulfanylphenyl)-2-fluoro-1-methylcyclopropane-1-carboxamide (PubChem CID 70584012) has the molecular formula C13H16FNOS and a molecular weight of 253.34 g/mol. Its IUPAC name is N-(4-ethylsulfanylphenyl)-2-fluoro-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethylsulfanylphenyl)-2-fluoro-1-methylcyclopropane-1-carboxamide
PubChem CID70584012
Molecular FormulaC13H16FNOS
Molecular Weight253.34 g/mol
Exact Mass253.09
IUPAC NameN-(4-ethylsulfanylphenyl)-2-fluoro-1-methylcyclopropane-1-carboxamide
SMILESCCSc1ccc(NC(=O)C2(C)CC2F)cc1
InChIInChI=1S/C13H16FNOS/c1-3-17-10-6-4-9(5-7-10)15-12(16)13(2)8-11(13)14/h4-7,11H,3,8H2,1-2H3,(H,15,16)
InChIKeyYCOVVTDHDWXAAI-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylphenyl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-ethylsulfanylphenyl)-2-fluoro-1-methylcyclopropane-1-carboxamide (CID 70584012) is N-(4-ethylsulfanylphenyl)-2-fluoro-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-ethylsulfanylphenyl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-ethylsulfanylphenyl)-2-fluoro-1-methylcyclopropane-1-carboxamide is CCSc1ccc(NC(=O)C2(C)CC2F)cc1.
What is the InChIKey of N-(4-ethylsulfanylphenyl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
The InChIKey is YCOVVTDHDWXAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNOS/c1-3-17-10-6-4-9(5-7-10)15-12(16)13(2)8-11(13)14/h4-7,11H,3,8H2,1-2H3,(H,15,16).
What are the key properties of N-(4-ethylsulfanylphenyl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
N-(4-ethylsulfanylphenyl)-2-fluoro-1-methylcyclopropane-1-carboxamide has a molecular weight of 253.34 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylphenyl)-2-fluoro-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 70584012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).