N-(2-anilinoethyl)-3-methoxy-5-methylthiophene-2-carboxamide

C15H18N2O2S — CID 71991092

IUPACN-(2-anilinoethyl)-3-methoxy-5-methylthiophene-2-carboxamide
SMILESCOc1cc(C)sc1C(=O)NCCNc1ccccc1
InChIInChI=1S/C15H18N2O2S/c1-11-10-13(19-2)14(20-11)15(18)17-9-8-16-12-6-4-3-5-7-12/h3-7,10,16H,8-9H2,1-2H3,(H,17,18)
InChIKeyNVYQSSDNKHIWTI-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.91
Rot. Bonds6

About N-(2-anilinoethyl)-3-methoxy-5-methylthiophene-2-carboxamide

N-(2-anilinoethyl)-3-methoxy-5-methylthiophene-2-carboxamide (PubChem CID 71991092) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(2-anilinoethyl)-3-methoxy-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-anilinoethyl)-3-methoxy-5-methylthiophene-2-carboxamide
PubChem CID71991092
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-(2-anilinoethyl)-3-methoxy-5-methylthiophene-2-carboxamide
SMILESCOc1cc(C)sc1C(=O)NCCNc1ccccc1
InChIInChI=1S/C15H18N2O2S/c1-11-10-13(19-2)14(20-11)15(18)17-9-8-16-12-6-4-3-5-7-12/h3-7,10,16H,8-9H2,1-2H3,(H,17,18)
InChIKeyNVYQSSDNKHIWTI-UHFFFAOYSA-N
XLogP2.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10248783
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 10617524
5-Methyl-thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10091635
5-Methyl-thiophene-2-carboxylic acid {2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-amide
CID 10473644
N-(2,4-difluorophenyl)-3-methoxy-2-thiophenecarboxamide
CID 1483502
N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 9117954
N-(4-methoxyphenyl)-1-(2-thienylcarbonyl)-3-piperidinamine
CID 24816840
1-[5-({3-[(4-Methoxyphenyl)amino]-1-piperidinyl}carbonyl)-2-thienyl]ethanone
CID 24817127
N,4-diethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 25163792
5-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 44393415
N-[4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]butyl]-5-methylthiophene-2-carboxamide
CID 71658073
5-Methyl-thiophene-2-carboxylic acid cyclopentylcarbamoylmethyl-(4-ethoxy-phenyl)-amide
CID 1460473

Frequently Asked Questions

What is the IUPAC name of N-(2-anilinoethyl)-3-methoxy-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-anilinoethyl)-3-methoxy-5-methylthiophene-2-carboxamide (CID 71991092) is N-(2-anilinoethyl)-3-methoxy-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-anilinoethyl)-3-methoxy-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-anilinoethyl)-3-methoxy-5-methylthiophene-2-carboxamide is COc1cc(C)sc1C(=O)NCCNc1ccccc1.
What is the InChIKey of N-(2-anilinoethyl)-3-methoxy-5-methylthiophene-2-carboxamide?
The InChIKey is NVYQSSDNKHIWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-10-13(19-2)14(20-11)15(18)17-9-8-16-12-6-4-3-5-7-12/h3-7,10,16H,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-(2-anilinoethyl)-3-methoxy-5-methylthiophene-2-carboxamide?
N-(2-anilinoethyl)-3-methoxy-5-methylthiophene-2-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilinoethyl)-3-methoxy-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 71991092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).