N-[(4-aminophenyl)methyl]-N-ethyl-3-methoxythiophene-2-carboxamide

C15H18N2O2S — CID 81116669

IUPACN-[(4-aminophenyl)methyl]-N-ethyl-3-methoxythiophene-2-carboxamide
SMILESCCN(Cc1ccc(N)cc1)C(=O)c1sccc1OC
InChIInChI=1S/C15H18N2O2S/c1-3-17(10-11-4-6-12(16)7-5-11)15(18)14-13(19-2)8-9-20-14/h4-9H,3,10,16H2,1-2H3
InChIKeyXEZRPXIEVIJYPF-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.00
Rot. Bonds5

About N-[(4-aminophenyl)methyl]-N-ethyl-3-methoxythiophene-2-carboxamide

N-[(4-aminophenyl)methyl]-N-ethyl-3-methoxythiophene-2-carboxamide (PubChem CID 81116669) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-ethyl-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-ethyl-3-methoxythiophene-2-carboxamide
PubChem CID81116669
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-[(4-aminophenyl)methyl]-N-ethyl-3-methoxythiophene-2-carboxamide
SMILESCCN(Cc1ccc(N)cc1)C(=O)c1sccc1OC
InChIInChI=1S/C15H18N2O2S/c1-3-17(10-11-4-6-12(16)7-5-11)15(18)14-13(19-2)8-9-20-14/h4-9H,3,10,16H2,1-2H3
InChIKeyXEZRPXIEVIJYPF-UHFFFAOYSA-N
XLogP3.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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]-3-methoxythiophene-2-carboxamide
CID 81116990
N-(2-aminoethyl)-N-benzyl-3-methoxythiophene-2-carboxamide
CID 104859465
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-3-methoxythiophene-2-carboxamide
CID 81124193
N-[(4-aminophenyl)methyl]-N-ethyl-4-methylbenzamide
CID 43458748
N-[(4-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-carboxamide
CID 43458689
N-[(4-aminophenyl)methyl]-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide
CID 65206802
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 61109885
2-[2-(dimethylamino)ethyl-(3-methoxythiophene-2-carbonyl)amino]acetic acid
CID 113264821
N-(2-hydroxyethyl)-3-methoxy-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 115772776
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 61109695
2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 61266612
(4-amino-2-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone
CID 113452764

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-ethyl-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-ethyl-3-methoxythiophene-2-carboxamide (CID 81116669) is N-[(4-aminophenyl)methyl]-N-ethyl-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-ethyl-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-ethyl-3-methoxythiophene-2-carboxamide is CCN(Cc1ccc(N)cc1)C(=O)c1sccc1OC.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-ethyl-3-methoxythiophene-2-carboxamide?
The InChIKey is XEZRPXIEVIJYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-3-17(10-11-4-6-12(16)7-5-11)15(18)14-13(19-2)8-9-20-14/h4-9H,3,10,16H2,1-2H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-ethyl-3-methoxythiophene-2-carboxamide?
N-[(4-aminophenyl)methyl]-N-ethyl-3-methoxythiophene-2-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N-ethyl-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 81116669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).