N-[2-(3-fluorophenyl)-2-methoxyethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide

C17H18FNO2S — CID 90623022

IUPACN-[2-(3-fluorophenyl)-2-methoxyethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCOC(CNC(=O)C1(c2cccs2)CC1)c1cccc(F)c1
InChIInChI=1S/C17H18FNO2S/c1-21-14(12-4-2-5-13(18)10-12)11-19-16(20)17(7-8-17)15-6-3-9-22-15/h2-6,9-10,14H,7-8,11H2,1H3,(H,19,20)
InChIKeyIXCOCHHMTPUHRH-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.42
Rot. Bonds6

About N-[2-(3-fluorophenyl)-2-methoxyethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide

N-[2-(3-fluorophenyl)-2-methoxyethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide (PubChem CID 90623022) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-methoxyethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-methoxyethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
PubChem CID90623022
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC NameN-[2-(3-fluorophenyl)-2-methoxyethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCOC(CNC(=O)C1(c2cccs2)CC1)c1cccc(F)c1
InChIInChI=1S/C17H18FNO2S/c1-21-14(12-4-2-5-13(18)10-12)11-19-16(20)17(7-8-17)15-6-3-9-22-15/h2-6,9-10,14H,7-8,11H2,1H3,(H,19,20)
InChIKeyIXCOCHHMTPUHRH-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 90598067
N-[2-(3-fluorophenyl)-2-methoxyethyl]adamantane-1-carboxamide
CID 90622955
N-[2-(2-chlorophenyl)-2-methoxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 90623771
N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 124892579
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-methylpropanamide
CID 90622872
1-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea
CID 90623238
N'-[2-(3-fluorophenyl)-2-methoxyethyl]-N-(2-methoxyethyl)oxamide
CID 90623137
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylurea
CID 90623219
N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylpropanamide
CID 90622906
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylphenyl)urea
CID 90623223
1-(2-fluorophenyl)-N-(2-methoxy-2-phenylethyl)cyclopentane-1-carboxamide
CID 60543655
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2,4-dimethylbenzamide
CID 90622908

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide (CID 90623022) is N-[2-(3-fluorophenyl)-2-methoxyethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-methoxyethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-methoxyethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide is COC(CNC(=O)C1(c2cccs2)CC1)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-methoxyethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide?
The InChIKey is IXCOCHHMTPUHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c1-21-14(12-4-2-5-13(18)10-12)11-19-16(20)17(7-8-17)15-6-3-9-22-15/h2-6,9-10,14H,7-8,11H2,1H3,(H,19,20).
What are the key properties of N-[2-(3-fluorophenyl)-2-methoxyethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide?
N-[2-(3-fluorophenyl)-2-methoxyethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-methoxyethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 90623022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).