1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]-3-pyridinyl]urea

C101H80Cl5F3N26O23S12 — CID 159796541

About 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]-3-pyridinyl]urea

1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]-3-pyridinyl]urea (PubChem CID 159796541) has the molecular formula C101H80Cl5F3N26O23S12 and a molecular weight of 2644.97 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]-3-pyridinyl]urea.

Molecular Properties

• Compound Name: 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]-3-pyridinyl]urea
• PubChem CID: 159796541
• Molecular Formula: C101H80Cl5F3N26O23S12
• Molecular Weight: 2644.97 g/mol
• Exact Mass: 2640.09
• IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]-3-pyridinyl]urea
• SMILES: CCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(C)nc2c1.COOSc1ccc2nc(C)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.COc1ccc2nc(C)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.CSc1ccc2nc(C)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.Cc1nc2ccc(C(F)(F)F)cc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cn1
• InChI: InChI=1S/C21H19ClN6O4S2.C20H13ClF3N5O4S2.C20H16ClN5O6S3.C20H16ClN5O5S2.C20H16ClN5O4S3/c1-3-23-13-4-6-15-16(10-13)25-12(2)28(20(15)29)18-8-5-14(11-24-18)26-21(30)27-34(31,32)19-9-7-17(22)33-19;1-10-26-14-4-2-11(20(22,23)24)8-13(14)18(30)29(10)16-6-3-12(9-25-16)27-19(31)28-35(32,33)17-7-5-15(21)34-17;1-11-23-15-5-4-13(34-32-31-2)9-14(15)19(27)26(11)17-7-3-12(10-22-17)24-20(28)25-35(29,30)18-8-6-16(21)33-18;2*1-11-23-15-5-4-13(31-2)9-14(15)19(27)26(11)17-7-3-12(10-22-17)24-20(28)25-33(29,30)18-8-6-16(21)32-18/h4-11,23H,3H2,1-2H3,(H2,26,27,30);2-9H,1H3,(H2,27,28,31);3-10H,1-2H3,(H2,24,25,28);2*3-10H,1-2H3,(H2,24,25,28)
• InChIKey: NJFXFCUVFCJBGV-UHFFFAOYSA-N
• XLogP: 19.34
• TPSA: 654.97 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 46
• Rotatable Bonds: 27
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2644.97
LogP ≤ 5	19.34
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]-3-pyridinyl]urea?

The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]-3-pyridinyl]urea (CID 159796541) is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]-3-pyridinyl]urea.

What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]-3-pyridinyl]urea?

The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]-3-pyridinyl]urea is CCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(C)nc2c1.COOSc1ccc2nc(C)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.COc1ccc2nc(C)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.CSc1ccc2nc(C)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.Cc1nc2ccc(C(F)(F)F)cc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cn1.

What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]-3-pyridinyl]urea?

The InChIKey is NJFXFCUVFCJBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O4S2.C20H13ClF3N5O4S2.C20H16ClN5O6S3.C20H16ClN5O5S2.C20H16ClN5O4S3/c1-3-23-13-4-6-15-16(10-13)25-12(2)28(20(15)29)18-8-5-14(11-24-18)26-21(30)27-34(31,32)19-9-7-17(22)33-19;1-10-26-14-4-2-11(20(22,23)24)8-13(14)18(30)29(10)16-6-3-12(9-25-16)27-19(31)28-35(32,33)17-7-5-15(21)34-17;1-11-23-15-5-4-13(34-32-31-2)9-14(15)19(27)26(11)17-7-3-12(10-22-17)24-20(28)25-35(29,30)18-8-6-16(21)33-18;2*1-11-23-15-5-4-13(31-2)9-14(15)19(27)26(11)17-7-3-12(10-22-17)24-20(28)25-33(29,30)18-8-6-16(21)32-18/h4-11,23H,3H2,1-2H3,(H2,26,27,30);2-9H,1H3,(H2,27,28,31);3-10H,1-2H3,(H2,24,25,28);2*3-10H,1-2H3,(H2,24,25,28).

What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]-3-pyridinyl]urea?

1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]-3-pyridinyl]urea has a molecular weight of 2644.97 g/mol, XLogP of 19.34, 27 rotatable bonds, 11 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]-3-pyridinyl]urea is sourced from PubChem (CID 159796541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).