N-(2-methoxyphenyl)-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanylacetamide

C20H20N4O2S — CID 24793338

IUPACN-(2-methoxyphenyl)-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanylacetamide
SMILESC=CCNc1nnc(SCC(=O)Nc2ccccc2OC)c2ccccc12
InChIInChI=1S/C20H20N4O2S/c1-3-12-21-19-14-8-4-5-9-15(14)20(24-23-19)27-13-18(25)22-16-10-6-7-11-17(16)26-2/h3-11H,1,12-13H2,2H3,(H,21,23)(H,22,25)
InChIKeyWQTMOELVHVBQJU-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.97
Rot. Bonds8

About N-(2-methoxyphenyl)-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanylacetamide

N-(2-methoxyphenyl)-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanylacetamide (PubChem CID 24793338) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanylacetamide
PubChem CID24793338
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-(2-methoxyphenyl)-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanylacetamide
SMILESC=CCNc1nnc(SCC(=O)Nc2ccccc2OC)c2ccccc12
InChIInChI=1S/C20H20N4O2S/c1-3-12-21-19-14-8-4-5-9-15(14)20(24-23-19)27-13-18(25)22-16-10-6-7-11-17(16)26-2/h3-11H,1,12-13H2,2H3,(H,21,23)(H,22,25)
InChIKeyWQTMOELVHVBQJU-UHFFFAOYSA-N
XLogP3.97
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-methoxyphenyl)-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanylacetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanylacetamide (CID 24793338) is N-(2-methoxyphenyl)-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanylacetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanylacetamide is C=CCNc1nnc(SCC(=O)Nc2ccccc2OC)c2ccccc12.
What is the InChIKey of N-(2-methoxyphenyl)-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanylacetamide?
The InChIKey is WQTMOELVHVBQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-3-12-21-19-14-8-4-5-9-15(14)20(24-23-19)27-13-18(25)22-16-10-6-7-11-17(16)26-2/h3-11H,1,12-13H2,2H3,(H,21,23)(H,22,25).
What are the key properties of N-(2-methoxyphenyl)-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanylacetamide?
N-(2-methoxyphenyl)-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanylacetamide has a molecular weight of 380.47 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanylacetamide is sourced from PubChem (CID 24793338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).