N-[5-(6-ethoxypyridazin-3-yl)-2-methylphenyl]thiophene-2-carboxamide

C18H17N3O2S — CID 42109595

IUPACN-[5-(6-ethoxypyridazin-3-yl)-2-methylphenyl]thiophene-2-carboxamide
SMILESCCOc1ccc(-c2ccc(C)c(NC(=O)c3cccs3)c2)nn1
InChIInChI=1S/C18H17N3O2S/c1-3-23-17-9-8-14(20-21-17)13-7-6-12(2)15(11-13)19-18(22)16-5-4-10-24-16/h4-11H,3H2,1-2H3,(H,19,22)
InChIKeyWLTCDNKSLMANON-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.16
Rot. Bonds5

About N-[5-(6-ethoxypyridazin-3-yl)-2-methylphenyl]thiophene-2-carboxamide

N-[5-(6-ethoxypyridazin-3-yl)-2-methylphenyl]thiophene-2-carboxamide (PubChem CID 42109595) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[5-(6-ethoxypyridazin-3-yl)-2-methylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(6-ethoxypyridazin-3-yl)-2-methylphenyl]thiophene-2-carboxamide
PubChem CID42109595
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-[5-(6-ethoxypyridazin-3-yl)-2-methylphenyl]thiophene-2-carboxamide
SMILESCCOc1ccc(-c2ccc(C)c(NC(=O)c3cccs3)c2)nn1
InChIInChI=1S/C18H17N3O2S/c1-3-23-17-9-8-14(20-21-17)13-7-6-12(2)15(11-13)19-18(22)16-5-4-10-24-16/h4-11H,3H2,1-2H3,(H,19,22)
InChIKeyWLTCDNKSLMANON-UHFFFAOYSA-N
XLogP4.16
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-ethoxypyridazin-3-yl)-2-methylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(6-ethoxypyridazin-3-yl)-2-methylphenyl]thiophene-2-carboxamide (CID 42109595) is N-[5-(6-ethoxypyridazin-3-yl)-2-methylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(6-ethoxypyridazin-3-yl)-2-methylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(6-ethoxypyridazin-3-yl)-2-methylphenyl]thiophene-2-carboxamide is CCOc1ccc(-c2ccc(C)c(NC(=O)c3cccs3)c2)nn1.
What is the InChIKey of N-[5-(6-ethoxypyridazin-3-yl)-2-methylphenyl]thiophene-2-carboxamide?
The InChIKey is WLTCDNKSLMANON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-3-23-17-9-8-14(20-21-17)13-7-6-12(2)15(11-13)19-18(22)16-5-4-10-24-16/h4-11H,3H2,1-2H3,(H,19,22).
What are the key properties of N-[5-(6-ethoxypyridazin-3-yl)-2-methylphenyl]thiophene-2-carboxamide?
N-[5-(6-ethoxypyridazin-3-yl)-2-methylphenyl]thiophene-2-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-ethoxypyridazin-3-yl)-2-methylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 42109595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).