N-(4-amino-2-chlorophenyl)-3-ethylthiophene-2-carboxamide

C13H13ClN2OS — CID 79985766

IUPACN-(4-amino-2-chlorophenyl)-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C13H13ClN2OS/c1-2-8-5-6-18-12(8)13(17)16-11-4-3-9(15)7-10(11)14/h3-7H,2,15H2,1H3,(H,16,17)
InChIKeyXMQIAXYJMLFXDI-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.80
Rot. Bonds3

About N-(4-amino-2-chlorophenyl)-3-ethylthiophene-2-carboxamide

N-(4-amino-2-chlorophenyl)-3-ethylthiophene-2-carboxamide (PubChem CID 79985766) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-3-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-3-ethylthiophene-2-carboxamide
PubChem CID79985766
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC NameN-(4-amino-2-chlorophenyl)-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C13H13ClN2OS/c1-2-8-5-6-18-12(8)13(17)16-11-4-3-9(15)7-10(11)14/h3-7H,2,15H2,1H3,(H,16,17)
InChIKeyXMQIAXYJMLFXDI-UHFFFAOYSA-N
XLogP3.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.80
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-(5-amino-2-chlorophenyl)-3-ethylthiophene-2-carboxamide
CID 79985119
N-(2-chloro-4-hydroxyphenyl)-3-ethylthiophene-2-carboxamide
CID 79976367
N-(5-amino-2-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 43548778
N-(3-chloro-4-hydroxyphenyl)-3-ethylthiophene-2-carboxamide
CID 79976267
N-(4-amino-2-chlorophenyl)-5-ethylthiophene-2-carboxamide
CID 54594630
N-(4-amino-2-methylphenyl)-3-methylthiophene-2-carboxamide
CID 24696696
N-(3-amino-4-methylphenyl)-3-ethylthiophene-2-carboxamide
CID 79985935
N-(4-amino-2-chlorophenyl)-5-ethylfuran-2-carboxamide
CID 79095779
methyl 3-[(4-amino-2-chlorobenzoyl)amino]thiophene-2-carboxylate
CID 29008479
4-amino-N-(4-amino-2-chlorophenyl)benzamide
CID 577458
3-ethyl-N'-(2,4,6-trichlorophenyl)thiophene-2-carbohydrazide
CID 47365771
N-(5-amino-3-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide
CID 79985523

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-3-ethylthiophene-2-carboxamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-3-ethylthiophene-2-carboxamide (CID 79985766) is N-(4-amino-2-chlorophenyl)-3-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-3-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-3-ethylthiophene-2-carboxamide is CCc1ccsc1C(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-3-ethylthiophene-2-carboxamide?
The InChIKey is XMQIAXYJMLFXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-2-8-5-6-18-12(8)13(17)16-11-4-3-9(15)7-10(11)14/h3-7H,2,15H2,1H3,(H,16,17).
What are the key properties of N-(4-amino-2-chlorophenyl)-3-ethylthiophene-2-carboxamide?
N-(4-amino-2-chlorophenyl)-3-ethylthiophene-2-carboxamide has a molecular weight of 280.78 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-3-ethylthiophene-2-carboxamide is sourced from PubChem (CID 79985766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).