N-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylcyclopropane-1-carboxamide

C16H17NO2S — CID 110681294

IUPACN-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CC1c1cccs1
InChIInChI=1S/C16H17NO2S/c1-19-14-6-3-2-5-11(14)10-17-16(18)13-9-12(13)15-7-4-8-20-15/h2-8,12-13H,9-10H2,1H3,(H,17,18)
InChIKeyRTISLHVLHDCLCK-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.18
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylcyclopropane-1-carboxamide

N-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylcyclopropane-1-carboxamide (PubChem CID 110681294) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylcyclopropane-1-carboxamide
PubChem CID110681294
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CC1c1cccs1
InChIInChI=1S/C16H17NO2S/c1-19-14-6-3-2-5-11(14)10-17-16(18)13-9-12(13)15-7-4-8-20-15/h2-8,12-13H,9-10H2,1H3,(H,17,18)
InChIKeyRTISLHVLHDCLCK-UHFFFAOYSA-N
XLogP3.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2-methoxyethyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109132921
N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 755236
trans-(1R,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 95286253
N-[(2-methoxyphenyl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446395
trans-(1R,2R)-2-[(2-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylate
CID 6945107
cis-(1S,2R)-2-[(2-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylate
CID 6945106
trans-(1S,2S)-2-[(2-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 800075
1-N-(4-acetamidophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136494
1-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 38159170
1-N-(2,3-dichlorophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136513
2-N-[(2-methoxyphenyl)methyl]-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109136490
1-N-(2,4-difluorophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136506

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylcyclopropane-1-carboxamide (CID 110681294) is N-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylcyclopropane-1-carboxamide is COc1ccccc1CNC(=O)C1CC1c1cccs1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylcyclopropane-1-carboxamide?
The InChIKey is RTISLHVLHDCLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-19-14-6-3-2-5-11(14)10-17-16(18)13-9-12(13)15-7-4-8-20-15/h2-8,12-13H,9-10H2,1H3,(H,17,18).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylcyclopropane-1-carboxamide?
N-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylcyclopropane-1-carboxamide has a molecular weight of 287.38 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 110681294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).