1-(5-chlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;bis(1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea);1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-oxo-5-phenyl-1-pyridinyl)-3-pyridinyl]urea

C104H77Cl4F9N24O24S10 — CID 161259254

About 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;bis(1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea);1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-oxo-5-phenyl-1-pyridinyl)-3-pyridinyl]urea

1-(5-chlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;bis(1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea);1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-oxo-5-phenyl-1-pyridinyl)-3-pyridinyl]urea (PubChem CID 161259254) has the molecular formula C104H77Cl4F9N24O24S10 and a molecular weight of 2680.37 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;bis(1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea);1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-oxo-5-phenyl-1-pyridinyl)-3-pyridinyl]urea.

Molecular Properties

• Compound Name: 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;bis(1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea);1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-oxo-5-phenyl-1-pyridinyl)-3-pyridinyl]urea
• PubChem CID: 161259254
• Molecular Formula: C104H77Cl4F9N24O24S10
• Molecular Weight: 2680.37 g/mol
• Exact Mass: 2676.14
• IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;bis(1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea);1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-oxo-5-phenyl-1-pyridinyl)-3-pyridinyl]urea
• SMILES: CNc1ccc2c(=O)n(-c3c(F)cc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3C(F)(F)F)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3C(F)(F)F)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3C)c(=O)[nH]c2c1.O=C(Nc1ccc(-n2cc(-c3ccccc3)ccc2=O)nc1)NS(=O)(=O)c1ccc(F)s1
• InChI: InChI=1S/2C21H15ClF3N5O5S2.C21H18ClN5O5S2.C21H15FN4O4S2.C20H14ClF2N5O5S2/c2*1-26-10-2-4-12-14(9-10)28-20(33)30(18(12)31)15-5-3-11(8-13(15)21(23,24)25)27-19(32)29-37(34,35)17-7-6-16(22)36-17;1-11-9-13(24-20(29)26-34(31,32)18-8-7-17(22)33-18)4-6-16(11)27-19(28)14-5-3-12(23-2)10-15(14)25-21(27)30;22-17-8-11-20(31-17)32(29,30)25-21(28)24-16-7-9-18(23-12-16)26-13-15(6-10-19(26)27)14-4-2-1-3-5-14;1-24-9-2-3-11-14(8-9)26-20(31)28(18(11)29)17-12(22)6-10(7-13(17)23)25-19(30)27-35(32,33)16-5-4-15(21)34-16/h2*2-9,26H,1H3,(H,28,33)(H2,27,29,32);3-10,23H,1-2H3,(H,25,30)(H2,24,26,29);1-13H,(H2,24,25,28);2-8,24H,1H3,(H,26,31)(H2,25,27,30)
• InChIKey: VCIKWDVIMNFRNJ-UHFFFAOYSA-N
• XLogP: 18.02
• TPSA: 678.80 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 39
• Rotatable Bonds: 25
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2680.37
LogP ≤ 5	18.02
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;bis(1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea);1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-oxo-5-phenyl-1-pyridinyl)-3-pyridinyl]urea?

The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;bis(1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea);1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-oxo-5-phenyl-1-pyridinyl)-3-pyridinyl]urea (CID 161259254) is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;bis(1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea);1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-oxo-5-phenyl-1-pyridinyl)-3-pyridinyl]urea.

What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;bis(1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea);1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-oxo-5-phenyl-1-pyridinyl)-3-pyridinyl]urea?

The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;bis(1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea);1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-oxo-5-phenyl-1-pyridinyl)-3-pyridinyl]urea is CNc1ccc2c(=O)n(-c3c(F)cc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3C(F)(F)F)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3C(F)(F)F)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3C)c(=O)[nH]c2c1.O=C(Nc1ccc(-n2cc(-c3ccccc3)ccc2=O)nc1)NS(=O)(=O)c1ccc(F)s1.

What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;bis(1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea);1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-oxo-5-phenyl-1-pyridinyl)-3-pyridinyl]urea?

The InChIKey is VCIKWDVIMNFRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H15ClF3N5O5S2.C21H18ClN5O5S2.C21H15FN4O4S2.C20H14ClF2N5O5S2/c2*1-26-10-2-4-12-14(9-10)28-20(33)30(18(12)31)15-5-3-11(8-13(15)21(23,24)25)27-19(32)29-37(34,35)17-7-6-16(22)36-17;1-11-9-13(24-20(29)26-34(31,32)18-8-7-17(22)33-18)4-6-16(11)27-19(28)14-5-3-12(23-2)10-15(14)25-21(27)30;22-17-8-11-20(31-17)32(29,30)25-21(28)24-16-7-9-18(23-12-16)26-13-15(6-10-19(26)27)14-4-2-1-3-5-14;1-24-9-2-3-11-14(8-9)26-20(31)28(18(11)29)17-12(22)6-10(7-13(17)23)25-19(30)27-35(32,33)16-5-4-15(21)34-16/h2*2-9,26H,1H3,(H,28,33)(H2,27,29,32);3-10,23H,1-2H3,(H,25,30)(H2,24,26,29);1-13H,(H2,24,25,28);2-8,24H,1H3,(H,26,31)(H2,25,27,30).

What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;bis(1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea);1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-oxo-5-phenyl-1-pyridinyl)-3-pyridinyl]urea?

1-(5-chlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;bis(1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea);1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-oxo-5-phenyl-1-pyridinyl)-3-pyridinyl]urea has a molecular weight of 2680.37 g/mol, XLogP of 18.02, 25 rotatable bonds, 18 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;bis(1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea);1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-oxo-5-phenyl-1-pyridinyl)-3-pyridinyl]urea is sourced from PubChem (CID 161259254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).