N-[(3-amino-2-methylphenyl)methyl]-5-ethylthiophene-2-carboxamide

C15H18N2OS — CID 103110160

IUPACN-[(3-amino-2-methylphenyl)methyl]-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NCc2cccc(N)c2C)s1
InChIInChI=1S/C15H18N2OS/c1-3-12-7-8-14(19-12)15(18)17-9-11-5-4-6-13(16)10(11)2/h4-8H,3,9,16H2,1-2H3,(H,17,18)
InChIKeyJFGRRZOAJVGGHL-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.13
Rot. Bonds4

About N-[(3-amino-2-methylphenyl)methyl]-5-ethylthiophene-2-carboxamide

N-[(3-amino-2-methylphenyl)methyl]-5-ethylthiophene-2-carboxamide (PubChem CID 103110160) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[(3-amino-2-methylphenyl)methyl]-5-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-amino-2-methylphenyl)methyl]-5-ethylthiophene-2-carboxamide
PubChem CID103110160
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-[(3-amino-2-methylphenyl)methyl]-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NCc2cccc(N)c2C)s1
InChIInChI=1S/C15H18N2OS/c1-3-12-7-8-14(19-12)15(18)17-9-11-5-4-6-13(16)10(11)2/h4-8H,3,9,16H2,1-2H3,(H,17,18)
InChIKeyJFGRRZOAJVGGHL-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-2-methylphenyl)methyl]-5-ethylthiophene-2-carboxamide?
The IUPAC name of N-[(3-amino-2-methylphenyl)methyl]-5-ethylthiophene-2-carboxamide (CID 103110160) is N-[(3-amino-2-methylphenyl)methyl]-5-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3-amino-2-methylphenyl)methyl]-5-ethylthiophene-2-carboxamide?
The canonical SMILES for N-[(3-amino-2-methylphenyl)methyl]-5-ethylthiophene-2-carboxamide is CCc1ccc(C(=O)NCc2cccc(N)c2C)s1.
What is the InChIKey of N-[(3-amino-2-methylphenyl)methyl]-5-ethylthiophene-2-carboxamide?
The InChIKey is JFGRRZOAJVGGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-3-12-7-8-14(19-12)15(18)17-9-11-5-4-6-13(16)10(11)2/h4-8H,3,9,16H2,1-2H3,(H,17,18).
What are the key properties of N-[(3-amino-2-methylphenyl)methyl]-5-ethylthiophene-2-carboxamide?
N-[(3-amino-2-methylphenyl)methyl]-5-ethylthiophene-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 N-[(3-amino-2-methylphenyl)methyl]-5-ethylthiophene-2-carboxamide is sourced from PubChem (CID 103110160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).