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

C15H18N2OS — CID 43458689

IUPACN-[(4-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-carboxamide
SMILESCCN(Cc1ccc(N)cc1)C(=O)c1ccc(C)s1
InChIInChI=1S/C15H18N2OS/c1-3-17(10-12-5-7-13(16)8-6-12)15(18)14-9-4-11(2)19-14/h4-9H,3,10,16H2,1-2H3
InChIKeyAQOFTZNHAKIGTD-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.30
Rot. Bonds4

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

N-[(4-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-carboxamide (PubChem CID 43458689) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-carboxamide
PubChem CID43458689
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-[(4-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-carboxamide
SMILESCCN(Cc1ccc(N)cc1)C(=O)c1ccc(C)s1
InChIInChI=1S/C15H18N2OS/c1-3-17(10-12-5-7-13(16)8-6-12)15(18)14-9-4-11(2)19-14/h4-9H,3,10,16H2,1-2H3
InChIKeyAQOFTZNHAKIGTD-UHFFFAOYSA-N
XLogP3.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-N-ethyl-4-methylbenzamide
CID 43458748
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 61109885
N-[(4-aminophenyl)methyl]-N-ethyl-3-hydroxy-2-methylbenzamide
CID 82809597
N-[(4-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide
CID 43458688
N-[(4-aminophenyl)methyl]-N-ethyl-6-methylpyridine-2-carboxamide
CID 43458715
N-[(4-aminophenyl)methyl]-N-ethyl-2-hydroxy-5-methylbenzamide
CID 43458696
N-[(3-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-carboxamide
CID 43458976
N-[(4-aminophenyl)methyl]-N-ethyl-3-methylpyridine-2-carboxamide
CID 62340438
N-[(4-aminophenyl)methyl]-N-ethyl-3-methoxythiophene-2-carboxamide
CID 81116669
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4,5-dimethylthiophene-2-carboxamide
CID 86978498
4-amino-N-ethyl-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 61105975
N-[(4-aminophenyl)methyl]-N-ethyl-2-fluoro-6-hydroxybenzamide
CID 107013078

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-carboxamide (CID 43458689) is N-[(4-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-carboxamide is CCN(Cc1ccc(N)cc1)C(=O)c1ccc(C)s1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-carboxamide?
The InChIKey is AQOFTZNHAKIGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-3-17(10-12-5-7-13(16)8-6-12)15(18)14-9-4-11(2)19-14/h4-9H,3,10,16H2,1-2H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-carboxamide?
N-[(4-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 43458689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).