N-(2-aminophenyl)-N-ethyl-4,5-dimethylthiophene-2-carboxamide

C15H18N2OS — CID 65237675

IUPACN-(2-aminophenyl)-N-ethyl-4,5-dimethylthiophene-2-carboxamide
SMILESCCN(C(=O)c1cc(C)c(C)s1)c1ccccc1N
InChIInChI=1S/C15H18N2OS/c1-4-17(13-8-6-5-7-12(13)16)15(18)14-9-10(2)11(3)19-14/h5-9H,4,16H2,1-3H3
InChIKeyQVLQPCQIKXSULG-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.61
Rot. Bonds3

About N-(2-aminophenyl)-N-ethyl-4,5-dimethylthiophene-2-carboxamide

N-(2-aminophenyl)-N-ethyl-4,5-dimethylthiophene-2-carboxamide (PubChem CID 65237675) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(2-aminophenyl)-N-ethyl-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N-ethyl-4,5-dimethylthiophene-2-carboxamide
PubChem CID65237675
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-(2-aminophenyl)-N-ethyl-4,5-dimethylthiophene-2-carboxamide
SMILESCCN(C(=O)c1cc(C)c(C)s1)c1ccccc1N
InChIInChI=1S/C15H18N2OS/c1-4-17(13-8-6-5-7-12(13)16)15(18)14-9-10(2)11(3)19-14/h5-9H,4,16H2,1-3H3
InChIKeyQVLQPCQIKXSULG-UHFFFAOYSA-N
XLogP3.61
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N-ethyl-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-N-ethyl-4,5-dimethylthiophene-2-carboxamide (CID 65237675) is N-(2-aminophenyl)-N-ethyl-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-N-ethyl-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-N-ethyl-4,5-dimethylthiophene-2-carboxamide is CCN(C(=O)c1cc(C)c(C)s1)c1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-N-ethyl-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is QVLQPCQIKXSULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-4-17(13-8-6-5-7-12(13)16)15(18)14-9-10(2)11(3)19-14/h5-9H,4,16H2,1-3H3.
What are the key properties of N-(2-aminophenyl)-N-ethyl-4,5-dimethylthiophene-2-carboxamide?
N-(2-aminophenyl)-N-ethyl-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N-ethyl-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 65237675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).