2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide

C19H17Cl2N3O4S2 — CID 46821314

IUPAC2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)N(Cc1cccs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H17Cl2N3O4S2/c20-12-6-15-18(16(21)7-12)22-11-23(19(15)26)9-17(25)24(8-14-2-1-4-29-14)13-3-5-30(27,28)10-13/h1-2,4,6-7,11,13H,3,5,8-10H2
InChIKeyVCZJEOFUHZIPLH-UHFFFAOYSA-N
MW486.40 g/mol
LogP2.98
Rot. Bonds5

About 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 46821314) has the molecular formula C19H17Cl2N3O4S2 and a molecular weight of 486.40 g/mol. Its IUPAC name is 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID46821314
Molecular FormulaC19H17Cl2N3O4S2
Molecular Weight486.40 g/mol
Exact Mass485.00
IUPAC Name2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)N(Cc1cccs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H17Cl2N3O4S2/c20-12-6-15-18(16(21)7-12)22-11-23(19(15)26)9-17(25)24(8-14-2-1-4-29-14)13-3-5-30(27,28)10-13/h1-2,4,6-7,11,13H,3,5,8-10H2
InChIKeyVCZJEOFUHZIPLH-UHFFFAOYSA-N
XLogP2.98
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.40
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)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-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 16560939
N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 43030960
N-cyclopropyl-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 17404805
2-(2-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 3719208
2-(4-chloro-2-methylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 7123441
3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-ethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 41077888
2-(2-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 46821915
6-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide
CID 40871455
N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 78807778
methyl 1-[2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-5-nitro-6-oxopyridine-3-carboxylate
CID 55667363
2-(2-bromo-4-fluorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 43030995
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 7183268

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 46821314) is 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide is O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)N(Cc1cccs1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is VCZJEOFUHZIPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O4S2/c20-12-6-15-18(16(21)7-12)22-11-23(19(15)26)9-17(25)24(8-14-2-1-4-29-14)13-3-5-30(27,28)10-13/h1-2,4,6-7,11,13H,3,5,8-10H2.
What are the key properties of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 486.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 46821314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).