N-(4-aminophenyl)-N-propylthiophene-2-carboxamide

C14H16N2OS — CID 63233977

IUPACN-(4-aminophenyl)-N-propylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1cccs1)c1ccc(N)cc1
InChIInChI=1S/C14H16N2OS/c1-2-9-16(12-7-5-11(15)6-8-12)14(17)13-4-3-10-18-13/h3-8,10H,2,9,15H2,1H3
InChIKeySAXWUWYIXXARSZ-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.39
Rot. Bonds4

About N-(4-aminophenyl)-N-propylthiophene-2-carboxamide

N-(4-aminophenyl)-N-propylthiophene-2-carboxamide (PubChem CID 63233977) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-propylthiophene-2-carboxamide
PubChem CID63233977
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-(4-aminophenyl)-N-propylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1cccs1)c1ccc(N)cc1
InChIInChI=1S/C14H16N2OS/c1-2-9-16(12-7-5-11(15)6-8-12)14(17)13-4-3-10-18-13/h3-8,10H,2,9,15H2,1H3
InChIKeySAXWUWYIXXARSZ-UHFFFAOYSA-N
XLogP3.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.39
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-propyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
CID 91704675
N-butylthiophene-2-carbohydrazide
CID 54350563
1-(4-aminophenyl)-3-ethyl-1-propylurea
CID 63234160
N-(3-amino-3-sulfanylidenepropyl)-N-phenylthiophene-2-carboxamide
CID 24708596
N-(4-aminophenyl)-2-(2-methylphenyl)-N-propylacetamide
CID 63234107
N,N-diethylthiophene-2-carboxamide
CID 962897
N-(4-aminophenyl)-N,4-dipropylthiadiazole-5-carboxamide
CID 65206351
N-(4-phenyl-2-pyridinyl)-N-propylthiophene-2-carboxamide
CID 162410483
N-(4-aminophenyl)-2-methoxy-N-propylacetamide
CID 63233545
N-heptyl-N-octylthiophene-2-carboxamide
CID 532904
N-octyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
CID 91704679
N-(4-aminophenyl)-N,2-dipropylpentanamide
CID 82983981

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-propylthiophene-2-carboxamide?
The IUPAC name of N-(4-aminophenyl)-N-propylthiophene-2-carboxamide (CID 63233977) is N-(4-aminophenyl)-N-propylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-N-propylthiophene-2-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-N-propylthiophene-2-carboxamide is CCCN(C(=O)c1cccs1)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-propylthiophene-2-carboxamide?
The InChIKey is SAXWUWYIXXARSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-2-9-16(12-7-5-11(15)6-8-12)14(17)13-4-3-10-18-13/h3-8,10H,2,9,15H2,1H3.
What are the key properties of N-(4-aminophenyl)-N-propylthiophene-2-carboxamide?
N-(4-aminophenyl)-N-propylthiophene-2-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 63233977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).