4-amino-N-ethyl-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide

C16H20N2OS — CID 61105975

IUPAC4-amino-N-ethyl-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
SMILESCCN(Cc1cccc(C)c1)C(=O)c1cc(N)c(C)s1
InChIInChI=1S/C16H20N2OS/c1-4-18(10-13-7-5-6-11(2)8-13)16(19)15-9-14(17)12(3)20-15/h5-9H,4,10,17H2,1-3H3
InChIKeyQNCZZJYCXIIBQI-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.61
Rot. Bonds4

About 4-amino-N-ethyl-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide

4-amino-N-ethyl-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide (PubChem CID 61105975) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-amino-N-ethyl-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
PubChem CID61105975
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name4-amino-N-ethyl-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
SMILESCCN(Cc1cccc(C)c1)C(=O)c1cc(N)c(C)s1
InChIInChI=1S/C16H20N2OS/c1-4-18(10-13-7-5-6-11(2)8-13)16(19)15-9-14(17)12(3)20-15/h5-9H,4,10,17H2,1-3H3
InChIKeyQNCZZJYCXIIBQI-UHFFFAOYSA-N
XLogP3.61
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 61109885
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939211
4-amino-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 61104453
2-amino-6-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 63658797
3-amino-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939220
4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylthiophene-2-carboxamide
CID 79384871
4-amino-N-benzyl-N-(2-methoxyethyl)-5-methylthiophene-2-carboxamide
CID 61114080
N-[(3-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-carboxamide
CID 43458976
N-[(3-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide
CID 43458950
4-amino-N-benzyl-5-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 61095288
2-(4-aminopyrazol-1-yl)-N-ethyl-N-[(3-methylphenyl)methyl]acetamide
CID 61105405
4-amino-5-methyl-N,N-dipentylthiophene-2-carboxamide
CID 61108711

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4-amino-N-ethyl-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide (CID 61105975) is 4-amino-N-ethyl-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide is CCN(Cc1cccc(C)c1)C(=O)c1cc(N)c(C)s1.
What is the InChIKey of 4-amino-N-ethyl-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is QNCZZJYCXIIBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-4-18(10-13-7-5-6-11(2)8-13)16(19)15-9-14(17)12(3)20-15/h5-9H,4,10,17H2,1-3H3.
What are the key properties of 4-amino-N-ethyl-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide?
4-amino-N-ethyl-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 61105975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).