N-(2-aminophenyl)-3-ethyl-N-propylthiophene-2-carboxamide

C16H20N2OS — CID 79985121

IUPACN-(2-aminophenyl)-3-ethyl-N-propylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1sccc1CC)c1ccccc1N
InChIInChI=1S/C16H20N2OS/c1-3-10-18(14-8-6-5-7-13(14)17)16(19)15-12(4-2)9-11-20-15/h5-9,11H,3-4,10,17H2,1-2H3
InChIKeyORERYCXHUWEZKB-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.95
Rot. Bonds5

About N-(2-aminophenyl)-3-ethyl-N-propylthiophene-2-carboxamide

N-(2-aminophenyl)-3-ethyl-N-propylthiophene-2-carboxamide (PubChem CID 79985121) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-ethyl-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-ethyl-N-propylthiophene-2-carboxamide
PubChem CID79985121
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-(2-aminophenyl)-3-ethyl-N-propylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1sccc1CC)c1ccccc1N
InChIInChI=1S/C16H20N2OS/c1-3-10-18(14-8-6-5-7-13(14)17)16(19)15-12(4-2)9-11-20-15/h5-9,11H,3-4,10,17H2,1-2H3
InChIKeyORERYCXHUWEZKB-UHFFFAOYSA-N
XLogP3.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
CID 79986014
N-(2-aminophenyl)-N-propylbenzamide
CID 63230394
N-(2-aminophenyl)-N-propylbutanamide
CID 63230657
N-(2-aminophenyl)-N-propylfuran-2-carboxamide
CID 63230481
N-(2-aminophenyl)-N-propylpyridine-2-carboxamide
CID 63230351
N-(2-aminophenyl)-4,5-dimethyl-N-propylthiophene-2-carboxamide
CID 65237112
1-(2-aminophenyl)-3,3-diethyl-1-propylurea
CID 79154664
N-(2-aminophenyl)-2-(4-fluorophenyl)-N-propylacetamide
CID 63230441
2-methylpropyl N-(2-aminophenyl)-N-propylcarbamate
CID 55173815
1-(2-aminophenyl)-3-benzyl-1-propylurea
CID 107653018
N-(2-aminophenyl)-2,2-dimethyl-N-propylcyclopropane-1-carboxamide
CID 107000282
N-(2-aminophenyl)-N-ethyl-2-thiophen-2-ylacetamide
CID 62101477

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-ethyl-N-propylthiophene-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-3-ethyl-N-propylthiophene-2-carboxamide (CID 79985121) is N-(2-aminophenyl)-3-ethyl-N-propylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-3-ethyl-N-propylthiophene-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-3-ethyl-N-propylthiophene-2-carboxamide is CCCN(C(=O)c1sccc1CC)c1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-3-ethyl-N-propylthiophene-2-carboxamide?
The InChIKey is ORERYCXHUWEZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-3-10-18(14-8-6-5-7-13(14)17)16(19)15-12(4-2)9-11-20-15/h5-9,11H,3-4,10,17H2,1-2H3.
What are the key properties of N-(2-aminophenyl)-3-ethyl-N-propylthiophene-2-carboxamide?
N-(2-aminophenyl)-3-ethyl-N-propylthiophene-2-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-ethyl-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 79985121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).