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

C14H16N2OS — CID 55083965

IUPACN-[(3-aminophenyl)methyl]-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NCc2cccc(N)c2)s1
InChIInChI=1S/C14H16N2OS/c1-2-12-6-7-13(18-12)14(17)16-9-10-4-3-5-11(15)8-10/h3-8H,2,9,15H2,1H3,(H,16,17)
InChIKeyZGZTWIGANWKOGU-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.82
Rot. Bonds4

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

N-[(3-aminophenyl)methyl]-5-ethylthiophene-2-carboxamide (PubChem CID 55083965) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-5-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-5-ethylthiophene-2-carboxamide
PubChem CID55083965
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-[(3-aminophenyl)methyl]-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NCc2cccc(N)c2)s1
InChIInChI=1S/C14H16N2OS/c1-2-12-6-7-13(18-12)14(17)16-9-10-4-3-5-11(15)8-10/h3-8H,2,9,15H2,1H3,(H,16,17)
InChIKeyZGZTWIGANWKOGU-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-aminophenyl)methyl]-5-(6-amino-2-pyridinyl)thiophene-2-carboxamide
CID 59849628
N-[(3-amino-2-methylphenyl)methyl]-5-ethylthiophene-2-carboxamide
CID 103110160
5-ethyl-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 47114692
4-[[(5-ethylthiophene-2-carbonyl)amino]methyl]benzoic acid
CID 43358625
5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide
CID 47399039
N-(4-amino-2-chlorophenyl)-5-ethylthiophene-2-carboxamide
CID 54594630
N-[(3-aminophenyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121298
2-(3-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107210221
N-[(3-hydroxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 47292096
N-benzyl-5-(2-methylbutyl)thiophene-2-carboxamide
CID 143246003
3-[(3-aminophenyl)methyl]-1,1-dimethylurea
CID 79153723
ethyl 3-[(3-aminophenyl)methylamino]-3-oxopropanoate
CID 110480910

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-5-ethylthiophene-2-carboxamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-5-ethylthiophene-2-carboxamide (CID 55083965) is N-[(3-aminophenyl)methyl]-5-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-5-ethylthiophene-2-carboxamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-5-ethylthiophene-2-carboxamide is CCc1ccc(C(=O)NCc2cccc(N)c2)s1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-5-ethylthiophene-2-carboxamide?
The InChIKey is ZGZTWIGANWKOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-2-12-6-7-13(18-12)14(17)16-9-10-4-3-5-11(15)8-10/h3-8H,2,9,15H2,1H3,(H,16,17).
What are the key properties of N-[(3-aminophenyl)methyl]-5-ethylthiophene-2-carboxamide?
N-[(3-aminophenyl)methyl]-5-ethylthiophene-2-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-5-ethylthiophene-2-carboxamide is sourced from PubChem (CID 55083965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).