1-[4-(6-aminoperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea

C100H70BrCl5F4N22O27S11 — CID 159083710

IUPAC1-[4-(6-aminoperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea
SMILESNOOSc1ccc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2c1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(N4CCCC4)ccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3ccc(Br)cc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3ccc(F)cc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C23H20ClN5O5S2.C20H12ClF3N4O5S2.C19H12BrClN4O5S2.C19H12ClFN4O5S2.C19H14ClN5O7S3/c24-19-9-10-20(35-19)36(33,34)27-22(31)25-14-3-5-15(6-4-14)29-21(30)17-8-7-16(28-11-1-2-12-28)13-18(17)26-23(29)32;21-15-7-8-16(34-15)35(32,33)27-18(30)25-11-2-4-12(5-3-11)28-17(29)13-9-10(20(22,23)24)1-6-14(13)26-19(28)31;20-10-1-6-14-13(9-10)17(26)25(19(28)23-14)12-4-2-11(3-5-12)22-18(27)24-32(29,30)16-8-7-15(21)31-16;20-15-7-8-16(31-15)32(29,30)24-18(27)22-11-2-4-12(5-3-11)25-17(26)13-9-10(21)1-6-14(13)23-19(25)28;20-15-7-8-16(33-15)35(29,30)24-18(27)22-10-1-3-11(4-2-10)25-17(26)13-9-12(34-32-31-21)5-6-14(13)23-19(25)28/h3-10,13H,1-2,11-12H2,(H,26,32)(H2,25,27,31);1-9H,(H,26,31)(H2,25,27,30);2*1-9H,(H,23,28)(H2,22,24,27);1-9H,21H2,(H,23,28)(H2,22,24,27)
InChIKeyKBEGJPKJMWFVAJ-UHFFFAOYSA-N
MW2697.68 g/mol
LogP16.87
Rot. Bonds24

About 1-[4-(6-aminoperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea

1-[4-(6-aminoperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea (PubChem CID 159083710) has the molecular formula C100H70BrCl5F4N22O27S11 and a molecular weight of 2697.68 g/mol. Its IUPAC name is 1-[4-(6-aminoperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(6-aminoperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea
PubChem CID159083710
Molecular FormulaC100H70BrCl5F4N22O27S11
Molecular Weight2697.68 g/mol
Exact Mass2691.93
IUPAC Name1-[4-(6-aminoperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea
SMILESNOOSc1ccc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2c1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(N4CCCC4)ccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3ccc(Br)cc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3ccc(F)cc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C23H20ClN5O5S2.C20H12ClF3N4O5S2.C19H12BrClN4O5S2.C19H12ClFN4O5S2.C19H14ClN5O7S3/c24-19-9-10-20(35-19)36(33,34)27-22(31)25-14-3-5-15(6-4-14)29-21(30)17-8-7-16(28-11-1-2-12-28)13-18(17)26-23(29)32;21-15-7-8-16(34-15)35(32,33)27-18(30)25-11-2-4-12(5-3-11)28-17(29)13-9-10(20(22,23)24)1-6-14(13)26-19(28)31;20-10-1-6-14-13(9-10)17(26)25(19(28)23-14)12-4-2-11(3-5-12)22-18(27)24-32(29,30)16-8-7-15(21)31-16;20-15-7-8-16(31-15)32(29,30)24-18(27)22-11-2-4-12(5-3-11)25-17(26)13-9-10(21)1-6-14(13)23-19(25)28;20-15-7-8-16(33-15)35(29,30)24-18(27)22-10-1-3-11(4-2-10)25-17(26)13-9-12(34-32-31-21)5-6-14(13)23-19(25)28/h3-10,13H,1-2,11-12H2,(H,26,32)(H2,25,27,31);1-9H,(H,26,31)(H2,25,27,30);2*1-9H,(H,23,28)(H2,22,24,27);1-9H,21H2,(H,23,28)(H2,22,24,27)
InChIKeyKBEGJPKJMWFVAJ-UHFFFAOYSA-N
XLogP16.87
TPSA698.37 Ų
H-Bond Donors16
H-Bond Acceptors40
Rotatable Bonds24
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002697.68
LogP ≤ 516.87
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1040

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'}

Analyze 1-[4-(6-aminoperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]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-[4-(6-aminoperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea?
The IUPAC name of 1-[4-(6-aminoperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea (CID 159083710) is 1-[4-(6-aminoperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea.
What is the SMILES notation for 1-[4-(6-aminoperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea?
The canonical SMILES for 1-[4-(6-aminoperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea is NOOSc1ccc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2c1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(N4CCCC4)ccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3ccc(Br)cc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3ccc(F)cc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-[4-(6-aminoperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea?
The InChIKey is KBEGJPKJMWFVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O5S2.C20H12ClF3N4O5S2.C19H12BrClN4O5S2.C19H12ClFN4O5S2.C19H14ClN5O7S3/c24-19-9-10-20(35-19)36(33,34)27-22(31)25-14-3-5-15(6-4-14)29-21(30)17-8-7-16(28-11-1-2-12-28)13-18(17)26-23(29)32;21-15-7-8-16(34-15)35(32,33)27-18(30)25-11-2-4-12(5-3-11)28-17(29)13-9-10(20(22,23)24)1-6-14(13)26-19(28)31;20-10-1-6-14-13(9-10)17(26)25(19(28)23-14)12-4-2-11(3-5-12)22-18(27)24-32(29,30)16-8-7-15(21)31-16;20-15-7-8-16(31-15)32(29,30)24-18(27)22-11-2-4-12(5-3-11)25-17(26)13-9-10(21)1-6-14(13)23-19(25)28;20-15-7-8-16(33-15)35(29,30)24-18(27)22-10-1-3-11(4-2-10)25-17(26)13-9-12(34-32-31-21)5-6-14(13)23-19(25)28/h3-10,13H,1-2,11-12H2,(H,26,32)(H2,25,27,31);1-9H,(H,26,31)(H2,25,27,30);2*1-9H,(H,23,28)(H2,22,24,27);1-9H,21H2,(H,23,28)(H2,22,24,27).
What are the key properties of 1-[4-(6-aminoperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea?
1-[4-(6-aminoperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea has a molecular weight of 2697.68 g/mol, XLogP of 16.87, 24 rotatable bonds, 16 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-aminoperoxysulfanyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-7-pyrrolidin-1-yl-1H-quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-6-(trifluoromethyl)-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]urea is sourced from PubChem (CID 159083710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).