1-(1H-benzimidazol-2-yl)-3-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-(1H-indol-5-yl)urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-(4-phenyl-1,3-thiazol-2-yl)urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-quinolin-2-ylurea

C113H111N25O12S5 — CID 158097510

IUPAC1-(1H-benzimidazol-2-yl)-3-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-(1H-indol-5-yl)urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-(4-phenyl-1,3-thiazol-2-yl)urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-quinolin-2-ylurea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc3[nH]ccc3c2)n(-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1.CC(C)(C)c1cc(NC(=O)Nc2ccc3ccccc3n2)n(-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1.CC(C)(C)c1cc(NC(=O)Nc2nc(-c3ccccc3)cs2)n(-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1.CC(C)(C)c1cc(NC(=O)Nc2nc3ccccc3[nH]2)n(-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1
InChIInChI=1S/C29H28N6O3S2.C29H28N6O3S.C28H28N6O3S.C27H27N7O3S/c1-29(2,3)25-18-26(31-27(36)32-28-30-24(19-39-28)20-10-6-4-7-11-20)35(33-25)22-14-16-23(17-15-22)40(37,38)34-21-12-8-5-9-13-21;1-29(2,3)25-19-27(32-28(36)31-26-18-13-20-9-7-8-12-24(20)30-26)35(33-25)22-14-16-23(17-15-22)39(37,38)34-21-10-5-4-6-11-21;1-28(2,3)25-18-26(31-27(35)30-21-9-14-24-19(17-21)15-16-29-24)34(32-25)22-10-12-23(13-11-22)38(36,37)33-20-7-5-4-6-8-20;1-27(2,3)23-17-24(30-26(35)31-25-28-21-11-7-8-12-22(21)29-25)34(32-23)19-13-15-20(16-14-19)38(36,37)33-18-9-5-4-6-10-18/h4-19,34H,1-3H3,(H2,30,31,32,36);4-19,34H,1-3H3,(H2,30,31,32,36);4-18,29,33H,1-3H3,(H2,30,31,35);4-17,33H,1-3H3,(H3,28,29,30,31,35)
InChIKeyFOVQHURLPJWFHV-UHFFFAOYSA-N
MW2171.63 g/mol
LogP24.49
Rot. Bonds25

About 1-(1H-benzimidazol-2-yl)-3-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-(1H-indol-5-yl)urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-(4-phenyl-1,3-thiazol-2-yl)urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-quinolin-2-ylurea

1-(1H-benzimidazol-2-yl)-3-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-(1H-indol-5-yl)urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-(4-phenyl-1,3-thiazol-2-yl)urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-quinolin-2-ylurea (PubChem CID 158097510) has the molecular formula C113H111N25O12S5 and a molecular weight of 2171.63 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-3-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-(1H-indol-5-yl)urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-(4-phenyl-1,3-thiazol-2-yl)urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-quinolin-2-ylurea.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-3-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-(1H-indol-5-yl)urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-(4-phenyl-1,3-thiazol-2-yl)urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-quinolin-2-ylurea
PubChem CID158097510
Molecular FormulaC113H111N25O12S5
Molecular Weight2171.63 g/mol
Exact Mass2169.74
IUPAC Name1-(1H-benzimidazol-2-yl)-3-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-(1H-indol-5-yl)urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-(4-phenyl-1,3-thiazol-2-yl)urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-quinolin-2-ylurea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc3[nH]ccc3c2)n(-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1.CC(C)(C)c1cc(NC(=O)Nc2ccc3ccccc3n2)n(-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1.CC(C)(C)c1cc(NC(=O)Nc2nc(-c3ccccc3)cs2)n(-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1.CC(C)(C)c1cc(NC(=O)Nc2nc3ccccc3[nH]2)n(-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1
InChIInChI=1S/C29H28N6O3S2.C29H28N6O3S.C28H28N6O3S.C27H27N7O3S/c1-29(2,3)25-18-26(31-27(36)32-28-30-24(19-39-28)20-10-6-4-7-11-20)35(33-25)22-14-16-23(17-15-22)40(37,38)34-21-12-8-5-9-13-21;1-29(2,3)25-19-27(32-28(36)31-26-18-13-20-9-7-8-12-24(20)30-26)35(33-25)22-14-16-23(17-15-22)39(37,38)34-21-10-5-4-6-11-21;1-28(2,3)25-18-26(31-27(35)30-21-9-14-24-19(17-21)15-16-29-24)34(32-25)22-10-12-23(13-11-22)38(36,37)33-20-7-5-4-6-8-20;1-27(2,3)23-17-24(30-26(35)31-25-28-21-11-7-8-12-22(21)29-25)34(32-23)19-13-15-20(16-14-19)38(36,37)33-18-9-5-4-6-10-18/h4-19,34H,1-3H3,(H2,30,31,32,36);4-19,34H,1-3H3,(H2,30,31,32,36);4-18,29,33H,1-3H3,(H2,30,31,35);4-17,33H,1-3H3,(H3,28,29,30,31,35)
InChIKeyFOVQHURLPJWFHV-UHFFFAOYSA-N
XLogP24.49
TPSA490.73 Ų
H-Bond Donors14
H-Bond Acceptors24
Rotatable Bonds25
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002171.63
LogP ≤ 524.49
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1024

Analyze 1-(1H-benzimidazol-2-yl)-3-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-(1H-indol-5-yl)urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-(4-phenyl-1,3-thiazol-2-yl)urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-quinolin-2-ylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-3-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-(1H-indol-5-yl)urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-(4-phenyl-1,3-thiazol-2-yl)urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-quinolin-2-ylurea?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-3-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-(1H-indol-5-yl)urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-(4-phenyl-1,3-thiazol-2-yl)urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-quinolin-2-ylurea (CID 158097510) is 1-(1H-benzimidazol-2-yl)-3-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-(1H-indol-5-yl)urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-(4-phenyl-1,3-thiazol-2-yl)urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-quinolin-2-ylurea.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-3-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-(1H-indol-5-yl)urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-(4-phenyl-1,3-thiazol-2-yl)urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-quinolin-2-ylurea?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-3-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-(1H-indol-5-yl)urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-(4-phenyl-1,3-thiazol-2-yl)urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-quinolin-2-ylurea is CC(C)(C)c1cc(NC(=O)Nc2ccc3[nH]ccc3c2)n(-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1.CC(C)(C)c1cc(NC(=O)Nc2ccc3ccccc3n2)n(-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1.CC(C)(C)c1cc(NC(=O)Nc2nc(-c3ccccc3)cs2)n(-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1.CC(C)(C)c1cc(NC(=O)Nc2nc3ccccc3[nH]2)n(-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-3-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-(1H-indol-5-yl)urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-(4-phenyl-1,3-thiazol-2-yl)urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-quinolin-2-ylurea?
The InChIKey is FOVQHURLPJWFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O3S2.C29H28N6O3S.C28H28N6O3S.C27H27N7O3S/c1-29(2,3)25-18-26(31-27(36)32-28-30-24(19-39-28)20-10-6-4-7-11-20)35(33-25)22-14-16-23(17-15-22)40(37,38)34-21-12-8-5-9-13-21;1-29(2,3)25-19-27(32-28(36)31-26-18-13-20-9-7-8-12-24(20)30-26)35(33-25)22-14-16-23(17-15-22)39(37,38)34-21-10-5-4-6-11-21;1-28(2,3)25-18-26(31-27(35)30-21-9-14-24-19(17-21)15-16-29-24)34(32-25)22-10-12-23(13-11-22)38(36,37)33-20-7-5-4-6-8-20;1-27(2,3)23-17-24(30-26(35)31-25-28-21-11-7-8-12-22(21)29-25)34(32-23)19-13-15-20(16-14-19)38(36,37)33-18-9-5-4-6-10-18/h4-19,34H,1-3H3,(H2,30,31,32,36);4-19,34H,1-3H3,(H2,30,31,32,36);4-18,29,33H,1-3H3,(H2,30,31,35);4-17,33H,1-3H3,(H3,28,29,30,31,35).
What are the key properties of 1-(1H-benzimidazol-2-yl)-3-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-(1H-indol-5-yl)urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-(4-phenyl-1,3-thiazol-2-yl)urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-quinolin-2-ylurea?
1-(1H-benzimidazol-2-yl)-3-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-(1H-indol-5-yl)urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-(4-phenyl-1,3-thiazol-2-yl)urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-quinolin-2-ylurea has a molecular weight of 2171.63 g/mol, XLogP of 24.49, 25 rotatable bonds, 14 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-3-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-(1H-indol-5-yl)urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-(4-phenyl-1,3-thiazol-2-yl)urea;1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-quinolin-2-ylurea is sourced from PubChem (CID 158097510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).