N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-oxophthalazin-2-yl)acetamide

C19H23N3O4S — CID 36545692

IUPACN-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESO=C(Cn1ncc2ccccc2c1=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C19H23N3O4S/c23-18(12-21-19(24)17-8-4-1-5-14(17)11-20-21)22(15-6-2-3-7-15)16-9-10-27(25,26)13-16/h1,4-5,8,11,15-16H,2-3,6-7,9-10,12-13H2/t16-/m0/s1
InChIKeyNTEPBQHRYGBIGS-INIZCTEOSA-N
MW389.48 g/mol
LogP1.35
Rot. Bonds4

About N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-oxophthalazin-2-yl)acetamide

N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-oxophthalazin-2-yl)acetamide (PubChem CID 36545692) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-oxophthalazin-2-yl)acetamide
PubChem CID36545692
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESO=C(Cn1ncc2ccccc2c1=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C19H23N3O4S/c23-18(12-21-19(24)17-8-4-1-5-14(17)11-20-21)22(15-6-2-3-7-15)16-9-10-27(25,26)13-16/h1,4-5,8,11,15-16H,2-3,6-7,9-10,12-13H2/t16-/m0/s1
InChIKeyNTEPBQHRYGBIGS-INIZCTEOSA-N
XLogP1.35
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-oxophthalazin-2-yl)acetamide 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

2-[[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]methyl]phthalazin-1-one
CID 56810800
N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7701748
N-cyclopropyl-2-(1,3-dioxoisoindol-2-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7697526
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(9-oxoacridin-10-yl)acetamide
CID 55501447
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 51727046
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 24561990
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide
CID 109399939
3-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 3937702
3-[2-(dicyclohexylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate
CID 2394131
2-(1-oxophthalazin-2-yl)-N,N-di(propan-2-yl)acetamide
CID 60602382
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 7376539
2-(2-chloro-6-oxo-1-pyridinyl)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 75426289

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-oxophthalazin-2-yl)acetamide (CID 36545692) is N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-oxophthalazin-2-yl)acetamide is O=C(Cn1ncc2ccccc2c1=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-oxophthalazin-2-yl)acetamide?
The InChIKey is NTEPBQHRYGBIGS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N3O4S/c23-18(12-21-19(24)17-8-4-1-5-14(17)11-20-21)22(15-6-2-3-7-15)16-9-10-27(25,26)13-16/h1,4-5,8,11,15-16H,2-3,6-7,9-10,12-13H2/t16-/m0/s1.
What are the key properties of N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-oxophthalazin-2-yl)acetamide?
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-oxophthalazin-2-yl)acetamide has a molecular weight of 389.48 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 36545692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).