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

C15H18N2OS — CID 63237534

IUPACN-[2-(4-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NCCc1ccc(N)cc1
InChIInChI=1S/C15H18N2OS/c1-2-12-8-10-19-14(12)15(18)17-9-7-11-3-5-13(16)6-4-11/h3-6,8,10H,2,7,9,16H2,1H3,(H,17,18)
InChIKeyASVFXRPZIFYBNG-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.87
Rot. Bonds5

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

N-[2-(4-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide (PubChem CID 63237534) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide
PubChem CID63237534
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-[2-(4-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NCCc1ccc(N)cc1
InChIInChI=1S/C15H18N2OS/c1-2-12-8-10-19-14(12)15(18)17-9-7-11-3-5-13(16)6-4-11/h3-6,8,10H,2,7,9,16H2,1H3,(H,17,18)
InChIKeyASVFXRPZIFYBNG-UHFFFAOYSA-N
XLogP2.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.87
H-Bond Donors ≤ 52
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

3-ethyl-N-[2-(propylamino)ethyl]thiophene-2-carboxamide
CID 62658051
4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
CID 110483115
N-[2-(4-aminophenyl)ethyl]-4-propylbenzamide
CID 119549241
N-[[4-(bromomethyl)phenyl]methyl]-3-ethylthiophene-2-carboxamide
CID 107233687
3-ethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide
CID 115628193
ethyl 2-[2-[2-[4-(2-ethoxyethoxy)phenyl]ethylcarbamoyl]thiophen-3-yl]acetate
CID 67928368
4-[(3-ethylthiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 80539115
N-[2-(4-chlorophenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 27646619
3-ethyl-N-methylthiophene-2-carboxamide
CID 61341196
2-[2-[(3-ethylthiophene-2-carbonyl)amino]ethoxy]acetic acid
CID 79457347
N-[2-(4-aminophenyl)ethyl]-4-methoxythiophene-2-carboxamide
CID 81117472
N-(3-amino-3-phenylpropyl)-3-ethylthiophene-2-carboxamide
CID 80506631

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide (CID 63237534) is N-[2-(4-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide is CCc1ccsc1C(=O)NCCc1ccc(N)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide?
The InChIKey is ASVFXRPZIFYBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-2-12-8-10-19-14(12)15(18)17-9-7-11-3-5-13(16)6-4-11/h3-6,8,10H,2,7,9,16H2,1H3,(H,17,18).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide?
N-[2-(4-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide is sourced from PubChem (CID 63237534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).