N-tert-butyl-2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanylacetamide

C19H26ClN3O2S — CID 7797003

IUPACN-tert-butyl-2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanylacetamide
SMILESCCCCCn1c(SCC(=O)NC(C)(C)C)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C19H26ClN3O2S/c1-5-6-7-10-23-17(25)14-9-8-13(20)11-15(14)21-18(23)26-12-16(24)22-19(2,3)4/h8-9,11H,5-7,10,12H2,1-4H3,(H,22,24)
InChIKeyZSTZHYRXJMNJJT-UHFFFAOYSA-N
MW395.96 g/mol
LogP4.25
Rot. Bonds7

About N-tert-butyl-2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanylacetamide

N-tert-butyl-2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanylacetamide (PubChem CID 7797003) has the molecular formula C19H26ClN3O2S and a molecular weight of 395.96 g/mol. Its IUPAC name is N-tert-butyl-2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanylacetamide
PubChem CID7797003
Molecular FormulaC19H26ClN3O2S
Molecular Weight395.96 g/mol
Exact Mass395.14
IUPAC NameN-tert-butyl-2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanylacetamide
SMILESCCCCCn1c(SCC(=O)NC(C)(C)C)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C19H26ClN3O2S/c1-5-6-7-10-23-17(25)14-9-8-13(20)11-15(14)21-18(23)26-12-16(24)22-19(2,3)4/h8-9,11H,5-7,10,12H2,1-4H3,(H,22,24)
InChIKeyZSTZHYRXJMNJJT-UHFFFAOYSA-N
XLogP4.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.96
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-tert-butyl-2-(7-chloro-4-oxo-3-pentylquinazolin-2-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

Related Compounds

N-tert-butyl-2-[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylacetamide
CID 2491173
2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-tert-butylacetamide
CID 2499094
2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N,N-diethylacetamide
CID 112777902
N-butyl-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 7738113
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide
CID 2488330
7-chloro-2-methylsulfanyl-3-pentylquinazolin-4-one
CID 112777915
7-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-pentylquinazolin-4-one
CID 84603704
N-tert-butyl-2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 2624649
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 2488402
N-[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide
CID 16571538
5-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanylpentanenitrile
CID 112777897
N-(tert-butylcarbamoyl)-2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
CID 16504682

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-tert-butyl-2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanylacetamide (CID 7797003) is N-tert-butyl-2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-tert-butyl-2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-tert-butyl-2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanylacetamide is CCCCCn1c(SCC(=O)NC(C)(C)C)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of N-tert-butyl-2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanylacetamide?
The InChIKey is ZSTZHYRXJMNJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2S/c1-5-6-7-10-23-17(25)14-9-8-13(20)11-15(14)21-18(23)26-12-16(24)22-19(2,3)4/h8-9,11H,5-7,10,12H2,1-4H3,(H,22,24).
What are the key properties of N-tert-butyl-2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanylacetamide?
N-tert-butyl-2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanylacetamide has a molecular weight of 395.96 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 7797003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).