N-[2-(3-methoxy-2-methylphenyl)-1-thiophen-2-ylethyl]formamide

C15H17NO2S — CID 122457172

IUPACN-[2-(3-methoxy-2-methylphenyl)-1-thiophen-2-ylethyl]formamide
SMILESCOc1cccc(CC(NC=O)c2cccs2)c1C
InChIInChI=1S/C15H17NO2S/c1-11-12(5-3-6-14(11)18-2)9-13(16-10-17)15-7-4-8-19-15/h3-8,10,13H,9H2,1-2H3,(H,16,17)
InChIKeyFQZPBJPQNSOOCZ-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.09
Rot. Bonds6

About N-[2-(3-methoxy-2-methylphenyl)-1-thiophen-2-ylethyl]formamide

N-[2-(3-methoxy-2-methylphenyl)-1-thiophen-2-ylethyl]formamide (PubChem CID 122457172) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[2-(3-methoxy-2-methylphenyl)-1-thiophen-2-ylethyl]formamide.

Molecular Properties

Compound NameN-[2-(3-methoxy-2-methylphenyl)-1-thiophen-2-ylethyl]formamide
PubChem CID122457172
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-[2-(3-methoxy-2-methylphenyl)-1-thiophen-2-ylethyl]formamide
SMILESCOc1cccc(CC(NC=O)c2cccs2)c1C
InChIInChI=1S/C15H17NO2S/c1-11-12(5-3-6-14(11)18-2)9-13(16-10-17)15-7-4-8-19-15/h3-8,10,13H,9H2,1-2H3,(H,16,17)
InChIKeyFQZPBJPQNSOOCZ-UHFFFAOYSA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 104793741
N-[1-(2-methoxyphenyl)propan-2-yl]-1-thiophen-2-ylpropan-1-amine
CID 60936190
2-(3-methoxy-2-methylphenyl)acetaldehyde
CID 144630578
2-(2-methoxyphenyl)-1-thiophen-2-ylethanol
CID 61087312
methyl 3-[(2-methoxyphenyl)methylamino]-3-thiophen-2-ylpropanoate
CID 43724941
N-[(2S)-1-(2-chloro-3-methoxyphenyl)propan-2-yl]formamide
CID 125472898
methyl 3-[3-(2,3-dimethoxyphenyl)propanoylamino]-3-thiophen-2-ylpropanoate
CID 47019238
N-(2-methoxyphenyl)-1-thiophen-2-ylethane-1,2-diamine
CID 65383986
N-ethyl-2-(2-methylphenyl)-1-thiophen-2-ylethanamine
CID 43490566
N-(2-hydroxy-2-thiophen-2-ylethyl)-2,6-dimethoxybenzamide
CID 90500029
N-[1-(2-methoxyphenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43783277
(2-methoxyphenyl)-thiophen-2-ylmethanamine
CID 43186740

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxy-2-methylphenyl)-1-thiophen-2-ylethyl]formamide?
The IUPAC name of N-[2-(3-methoxy-2-methylphenyl)-1-thiophen-2-ylethyl]formamide (CID 122457172) is N-[2-(3-methoxy-2-methylphenyl)-1-thiophen-2-ylethyl]formamide.
What is the SMILES notation for N-[2-(3-methoxy-2-methylphenyl)-1-thiophen-2-ylethyl]formamide?
The canonical SMILES for N-[2-(3-methoxy-2-methylphenyl)-1-thiophen-2-ylethyl]formamide is COc1cccc(CC(NC=O)c2cccs2)c1C.
What is the InChIKey of N-[2-(3-methoxy-2-methylphenyl)-1-thiophen-2-ylethyl]formamide?
The InChIKey is FQZPBJPQNSOOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-11-12(5-3-6-14(11)18-2)9-13(16-10-17)15-7-4-8-19-15/h3-8,10,13H,9H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(3-methoxy-2-methylphenyl)-1-thiophen-2-ylethyl]formamide?
N-[2-(3-methoxy-2-methylphenyl)-1-thiophen-2-ylethyl]formamide has a molecular weight of 275.37 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxy-2-methylphenyl)-1-thiophen-2-ylethyl]formamide is sourced from PubChem (CID 122457172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).