4-amino-N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide

C16H20N2OS — CID 61140208

IUPAC4-amino-N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide
SMILESCCc1ccc(C(C)NC(=O)c2cc(N)c(C)s2)cc1
InChIInChI=1S/C16H20N2OS/c1-4-12-5-7-13(8-6-12)10(2)18-16(19)15-9-14(17)11(3)20-15/h5-10H,4,17H2,1-3H3,(H,18,19)
InChIKeyJFAVMWFGGWPEFG-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.69
Rot. Bonds4

About 4-amino-N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide

4-amino-N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide (PubChem CID 61140208) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-amino-N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide
PubChem CID61140208
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name4-amino-N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide
SMILESCCc1ccc(C(C)NC(=O)c2cc(N)c(C)s2)cc1
InChIInChI=1S/C16H20N2OS/c1-4-12-5-7-13(8-6-12)10(2)18-16(19)15-9-14(17)11(3)20-15/h5-10H,4,17H2,1-3H3,(H,18,19)
InChIKeyJFAVMWFGGWPEFG-UHFFFAOYSA-N
XLogP3.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 17326902
4-amino-N-[(4-ethylphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 106899155
4-amino-5-methyl-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 61118574
N-[(1S)-1-(4-ethylphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712064
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methylbenzamide
CID 51857347
N-[(1R)-1-(4-bromophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide
CID 31495830
N-[1-(4-chlorophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide
CID 42906351
4-amino-N-(1,3-dihydroxypropan-2-yl)-5-methylthiophene-2-carboxamide
CID 65310256
5-amino-N-[1-(4-ethylphenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 61139068
3-amino-N-[1-(4-ethylphenyl)ethyl]pyridine-2-carboxamide
CID 104741215
5-amino-N-[1-(4-ethylphenyl)ethyl]-2-fluorobenzamide
CID 61140778
4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride
CID 119269307

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-amino-N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide (CID 61140208) is 4-amino-N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide is CCc1ccc(C(C)NC(=O)c2cc(N)c(C)s2)cc1.
What is the InChIKey of 4-amino-N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is JFAVMWFGGWPEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-4-12-5-7-13(8-6-12)10(2)18-16(19)15-9-14(17)11(3)20-15/h5-10H,4,17H2,1-3H3,(H,18,19).
What are the key properties of 4-amino-N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide?
4-amino-N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 61140208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).