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

C15H18N2OS — CID 106899155

IUPAC4-amino-N-[(4-ethylphenyl)methyl]-5-methylthiophene-2-carboxamide
SMILESCCc1ccc(CNC(=O)c2cc(N)c(C)s2)cc1
InChIInChI=1S/C15H18N2OS/c1-3-11-4-6-12(7-5-11)9-17-15(18)14-8-13(16)10(2)19-14/h4-8H,3,9,16H2,1-2H3,(H,17,18)
InChIKeyBNLQUHQFPPDFEF-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.13
Rot. Bonds4

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

4-amino-N-[(4-ethylphenyl)methyl]-5-methylthiophene-2-carboxamide (PubChem CID 106899155) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-amino-N-[(4-ethylphenyl)methyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-ethylphenyl)methyl]-5-methylthiophene-2-carboxamide
PubChem CID106899155
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name4-amino-N-[(4-ethylphenyl)methyl]-5-methylthiophene-2-carboxamide
SMILESCCc1ccc(CNC(=O)c2cc(N)c(C)s2)cc1
InChIInChI=1S/C15H18N2OS/c1-3-11-4-6-12(7-5-11)9-17-15(18)14-8-13(16)10(2)19-14/h4-8H,3,9,16H2,1-2H3,(H,17,18)
InChIKeyBNLQUHQFPPDFEF-UHFFFAOYSA-N
XLogP3.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[(4-amino-5-methylthiophene-2-carbonyl)amino]methyl]benzoate
CID 61113252
4-amino-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 61104453
4-amino-N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 61140208
4-amino-N-[(5-bromothiophen-2-yl)methyl]-5-methylthiophene-2-carboxamide
CID 61139794
4-amino-N-[2-(4-chlorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 61117048
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methylthiophene-2-carboxamide
CID 106368458
N-[[4-(hydroxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 107231462
4-amino-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 61091924
4-amino-N-[(2,5-dimethoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 61113758
4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 61090653
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-methylthiophene-2-carboxamide
CID 62635362
ethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61310193

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-ethylphenyl)methyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-amino-N-[(4-ethylphenyl)methyl]-5-methylthiophene-2-carboxamide (CID 106899155) is 4-amino-N-[(4-ethylphenyl)methyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-ethylphenyl)methyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-[(4-ethylphenyl)methyl]-5-methylthiophene-2-carboxamide is CCc1ccc(CNC(=O)c2cc(N)c(C)s2)cc1.
What is the InChIKey of 4-amino-N-[(4-ethylphenyl)methyl]-5-methylthiophene-2-carboxamide?
The InChIKey is BNLQUHQFPPDFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-3-11-4-6-12(7-5-11)9-17-15(18)14-8-13(16)10(2)19-14/h4-8H,3,9,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-[(4-ethylphenyl)methyl]-5-methylthiophene-2-carboxamide?
4-amino-N-[(4-ethylphenyl)methyl]-5-methylthiophene-2-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-ethylphenyl)methyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 106899155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).