N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-2-phenylsulfanylacetamide

C19H20N4O2S — CID 20819446

IUPACN-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCCCNc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C19H20N4O2S/c24-17(13-26-14-7-2-1-3-8-14)20-11-6-12-21-18-15-9-4-5-10-16(15)19(25)23-22-18/h1-5,7-10H,6,11-13H2,(H,20,24)(H,21,22)(H,23,25)
InChIKeyZSFUZNIUTWZRAI-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.63
Rot. Bonds8

About N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-2-phenylsulfanylacetamide

N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-2-phenylsulfanylacetamide (PubChem CID 20819446) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-2-phenylsulfanylacetamide
PubChem CID20819446
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCCCNc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C19H20N4O2S/c24-17(13-26-14-7-2-1-3-8-14)20-11-6-12-21-18-15-9-4-5-10-16(15)19(25)23-22-18/h1-5,7-10H,6,11-13H2,(H,20,24)(H,21,22)(H,23,25)
InChIKeyZSFUZNIUTWZRAI-UHFFFAOYSA-N
XLogP2.63
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-2-phenylsulfanylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-4-phenylbut-3-enamide
CID 91248532
phenyl N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]carbamate
CID 20819597
N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-(4-phenoxyphenyl)propanamide
CID 20819471
4-[4-[3-oxo-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]propyl]phenyl]benzoic acid
CID 20819178
5-oxo-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-5-thiophen-2-ylpentanamide
CID 20819233
4-[3-(benzylamino)propylamino]-2H-phthalazin-1-one
CID 22343074
2,2-dichloro-1-methyl-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]cyclopropane-1-carboxamide
CID 20818805
1-diethoxyphosphoryl-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]urea
CID 20818795
1-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-(2-phenylcyclopropyl)urea
CID 20818984
2-[(4-oxo-3H-phthalazin-1-yl)amino]acetic acid
CID 119085133
4-(3-aminopropylamino)-2H-phthalazin-1-one;ethane
CID 142215324
N-(3-bromopropyl)-2-phenylsulfanylacetamide
CID 69178614

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-2-phenylsulfanylacetamide (CID 20819446) is N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)NCCCNc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-2-phenylsulfanylacetamide?
The InChIKey is ZSFUZNIUTWZRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-17(13-26-14-7-2-1-3-8-14)20-11-6-12-21-18-15-9-4-5-10-16(15)19(25)23-22-18/h1-5,7-10H,6,11-13H2,(H,20,24)(H,21,22)(H,23,25).
What are the key properties of N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-2-phenylsulfanylacetamide?
N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-2-phenylsulfanylacetamide has a molecular weight of 368.46 g/mol, XLogP of 2.63, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 20819446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).