4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide

C16H20N2O2S — CID 61109885

IUPAC4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)c1cc(N)c(C)s1
InChIInChI=1S/C16H20N2O2S/c1-4-18(10-12-5-7-13(20-3)8-6-12)16(19)15-9-14(17)11(2)21-15/h5-9H,4,10,17H2,1-3H3
InChIKeyXVEQAWXLIREQCQ-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.31
Rot. Bonds5

About 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide

4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide (PubChem CID 61109885) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
PubChem CID61109885
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)c1cc(N)c(C)s1
InChIInChI=1S/C16H20N2O2S/c1-4-18(10-12-5-7-13(20-3)8-6-12)16(19)15-9-14(17)11(2)21-15/h5-9H,4,10,17H2,1-3H3
InChIKeyXVEQAWXLIREQCQ-UHFFFAOYSA-N
XLogP3.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-ethyl-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 61105975
4-amino-N-benzyl-N-(2-methoxyethyl)-5-methylthiophene-2-carboxamide
CID 61114080
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 61109695
N-[(4-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-carboxamide
CID 43458689
4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylthiophene-2-carboxamide
CID 79384871
2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 61266612
N-ethyl-N-(2-hydroxyethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 78798322
N-ethyl-3-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide
CID 75422754
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 65359823
N-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 55594329
N-benzyl-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 15997237
3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 64678742

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide (CID 61109885) is 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide is CCN(Cc1ccc(OC)cc1)C(=O)c1cc(N)c(C)s1.
What is the InChIKey of 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide?
The InChIKey is XVEQAWXLIREQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-4-18(10-12-5-7-13(20-3)8-6-12)16(19)15-9-14(17)11(2)21-15/h5-9H,4,10,17H2,1-3H3.
What are the key properties of 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide?
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 61109885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).