1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea

C19H16ClN7O5S2 — CID 71106458

IUPAC1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea
SMILESCNc1ccc2c(=O)n(-c3cnc(NC(=O)NS(=O)(=O)c4cc(C)c(Cl)s4)cn3)c(=O)[nH]c2c1
InChIInChI=1S/C19H16ClN7O5S2/c1-9-5-15(33-16(9)20)34(31,32)26-18(29)25-13-7-23-14(8-22-13)27-17(28)11-4-3-10(21-2)6-12(11)24-19(27)30/h3-8,21H,1-2H3,(H,24,30)(H2,22,25,26,29)
InChIKeyHNVHLFWFGUXUCV-UHFFFAOYSA-N
MW521.97 g/mol
LogP2.04
Rot. Bonds5

About 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea

1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea (PubChem CID 71106458) has the molecular formula C19H16ClN7O5S2 and a molecular weight of 521.97 g/mol. Its IUPAC name is 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea.

Molecular Properties

Compound Name1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea
PubChem CID71106458
Molecular FormulaC19H16ClN7O5S2
Molecular Weight521.97 g/mol
Exact Mass521.03
IUPAC Name1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea
SMILESCNc1ccc2c(=O)n(-c3cnc(NC(=O)NS(=O)(=O)c4cc(C)c(Cl)s4)cn3)c(=O)[nH]c2c1
InChIInChI=1S/C19H16ClN7O5S2/c1-9-5-15(33-16(9)20)34(31,32)26-18(29)25-13-7-23-14(8-22-13)27-17(28)11-4-3-10(21-2)6-12(11)24-19(27)30/h3-8,21H,1-2H3,(H,24,30)(H2,22,25,26,29)
InChIKeyHNVHLFWFGUXUCV-UHFFFAOYSA-N
XLogP2.04
TPSA167.94 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.97
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea 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 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea?
The IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea (CID 71106458) is 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea.
What is the SMILES notation for 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea?
The canonical SMILES for 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea is CNc1ccc2c(=O)n(-c3cnc(NC(=O)NS(=O)(=O)c4cc(C)c(Cl)s4)cn3)c(=O)[nH]c2c1.
What is the InChIKey of 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea?
The InChIKey is HNVHLFWFGUXUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN7O5S2/c1-9-5-15(33-16(9)20)34(31,32)26-18(29)25-13-7-23-14(8-22-13)27-17(28)11-4-3-10(21-2)6-12(11)24-19(27)30/h3-8,21H,1-2H3,(H,24,30)(H2,22,25,26,29).
What are the key properties of 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea?
1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea has a molecular weight of 521.97 g/mol, XLogP of 2.04, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea is sourced from PubChem (CID 71106458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).