N-[6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide

C18H20N4O3S — CID 42138506

IUPACN-[6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide
SMILESCCOc1ccc(NC(=O)CSc2ccc(NC(=O)C3CC3)nn2)cc1
InChIInChI=1S/C18H20N4O3S/c1-2-25-14-7-5-13(6-8-14)19-16(23)11-26-17-10-9-15(21-22-17)20-18(24)12-3-4-12/h5-10,12H,2-4,11H2,1H3,(H,19,23)(H,20,21,24)
InChIKeyCATGORGYIMONHW-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.95
Rot. Bonds8

About N-[6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide

N-[6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide (PubChem CID 42138506) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide
PubChem CID42138506
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide
SMILESCCOc1ccc(NC(=O)CSc2ccc(NC(=O)C3CC3)nn2)cc1
InChIInChI=1S/C18H20N4O3S/c1-2-25-14-7-5-13(6-8-14)19-16(23)11-26-17-10-9-15(21-22-17)20-18(24)12-3-4-12/h5-10,12H,2-4,11H2,1H3,(H,19,23)(H,20,21,24)
InChIKeyCATGORGYIMONHW-UHFFFAOYSA-N
XLogP2.95
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-cyclopropyl-1-[6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]piperidine-3-carboxamide
CID 95092904
(3S)-N-cyclopropyl-1-[6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]piperidine-3-carboxamide
CID 95092903
N-[4-(4-ethoxyphenoxy)phenyl]cyclopropanecarboxamide
CID 2446885
N-[6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide
CID 42139255
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 53074112
N-[6-[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide
CID 42139235
1-N-cyclopropyl-4-N-(4-ethoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109144778
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 17435516
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 8970461
N-(4-ethoxyphenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide
CID 50838911
N-(4-ethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514077
2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 989356

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide (CID 42138506) is N-[6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide is CCOc1ccc(NC(=O)CSc2ccc(NC(=O)C3CC3)nn2)cc1.
What is the InChIKey of N-[6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide?
The InChIKey is CATGORGYIMONHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-2-25-14-7-5-13(6-8-14)19-16(23)11-26-17-10-9-15(21-22-17)20-18(24)12-3-4-12/h5-10,12H,2-4,11H2,1H3,(H,19,23)(H,20,21,24).
What are the key properties of N-[6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide?
N-[6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide has a molecular weight of 372.45 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 42138506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).