N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-methylthiophene-2-carboxamide

C16H19NO2S — CID 41309125

IUPACN-[2-(2-methoxy-5-methylphenyl)ethyl]-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(C)cc1CCNC(=O)c1ccc(C)s1
InChIInChI=1S/C16H19NO2S/c1-11-4-6-14(19-3)13(10-11)8-9-17-16(18)15-7-5-12(2)20-15/h4-7,10H,8-9H2,1-3H3,(H,17,18)
InChIKeySAOZKIXXMCSAAB-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.35
Rot. Bonds5

About N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-methylthiophene-2-carboxamide

N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-methylthiophene-2-carboxamide (PubChem CID 41309125) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxy-5-methylphenyl)ethyl]-5-methylthiophene-2-carboxamide
PubChem CID41309125
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-[2-(2-methoxy-5-methylphenyl)ethyl]-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(C)cc1CCNC(=O)c1ccc(C)s1
InChIInChI=1S/C16H19NO2S/c1-11-4-6-14(19-3)13(10-11)8-9-17-16(18)15-7-5-12(2)20-15/h4-7,10H,8-9H2,1-3H3,(H,17,18)
InChIKeySAOZKIXXMCSAAB-UHFFFAOYSA-N
XLogP3.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxy-5-methylphenyl)ethyl]-2,4,6-trimethylbenzamide
CID 112795580
5-fluoro-2-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 31116235
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94684158
2-(hydroxymethyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]butanamide
CID 115186689
2-(2-methoxy-5-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 8851253
2-(4-aminophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide;hydrochloride
CID 119693030
3-bromo-4-hydroxy-5-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 24550494
2-(2,4-dimethylphenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 26457209
2-cyano-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94685624
5-bromo-2-iodo-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 35860687
N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 24624690
5-chloro-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 17173387

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-methylthiophene-2-carboxamide (CID 41309125) is N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-methylthiophene-2-carboxamide is COc1ccc(C)cc1CCNC(=O)c1ccc(C)s1.
What is the InChIKey of N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is SAOZKIXXMCSAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-11-4-6-14(19-3)13(10-11)8-9-17-16(18)15-7-5-12(2)20-15/h4-7,10H,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-methylthiophene-2-carboxamide?
N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 41309125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).