N-[1-(4-methoxyphenyl)cyclopropyl]thiophene-2-carboxamide

C15H15NO2S — CID 113091117

IUPACN-[1-(4-methoxyphenyl)cyclopropyl]thiophene-2-carboxamide
SMILESCOc1ccc(C2(NC(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C15H15NO2S/c1-18-12-6-4-11(5-7-12)15(8-9-15)16-14(17)13-3-2-10-19-13/h2-7,10H,8-9H2,1H3,(H,16,17)
InChIKeyIBJFSVFIEPFLNW-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.18
Rot. Bonds4

About N-[1-(4-methoxyphenyl)cyclopropyl]thiophene-2-carboxamide

N-[1-(4-methoxyphenyl)cyclopropyl]thiophene-2-carboxamide (PubChem CID 113091117) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)cyclopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)cyclopropyl]thiophene-2-carboxamide
PubChem CID113091117
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC NameN-[1-(4-methoxyphenyl)cyclopropyl]thiophene-2-carboxamide
SMILESCOc1ccc(C2(NC(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C15H15NO2S/c1-18-12-6-4-11(5-7-12)15(8-9-15)16-14(17)13-3-2-10-19-13/h2-7,10H,8-9H2,1H3,(H,16,17)
InChIKeyIBJFSVFIEPFLNW-UHFFFAOYSA-N
XLogP3.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)cyclopropyl]-4-methoxybenzamide
CID 110440290
2-hydroxy-4-methoxy-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide
CID 139011396
[1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid
CID 121483236
2,3,4-trifluoro-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide
CID 113091163
ethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate
CID 113091172
4-(4-methoxyphenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide
CID 17394875
1,1-diethyl-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215626
N-[1-(4-methoxyphenyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141293006
N-[1-(4-methoxyphenyl)cyclopropyl]-2-phenoxyacetamide
CID 113091147
N'-[2-(4-methoxyphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 4942927
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]thiophene-2-carboxamide
CID 6144551
N-[1-(4-methoxyphenyl)cyclopropyl]-3-phenoxypropanamide
CID 113091150

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)cyclopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)cyclopropyl]thiophene-2-carboxamide (CID 113091117) is N-[1-(4-methoxyphenyl)cyclopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)cyclopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)cyclopropyl]thiophene-2-carboxamide is COc1ccc(C2(NC(=O)c3cccs3)CC2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)cyclopropyl]thiophene-2-carboxamide?
The InChIKey is IBJFSVFIEPFLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-18-12-6-4-11(5-7-12)15(8-9-15)16-14(17)13-3-2-10-19-13/h2-7,10H,8-9H2,1H3,(H,16,17).
What are the key properties of N-[1-(4-methoxyphenyl)cyclopropyl]thiophene-2-carboxamide?
N-[1-(4-methoxyphenyl)cyclopropyl]thiophene-2-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)cyclopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 113091117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).