3-[(4-methylphenyl)-[5-[[(4-methylphenyl)sulfonylamino]carbamoyl]-1H-indol-3-yl]methyl]-N'-(4-methylphenyl)sulfonyl-1H-indole-5-carbohydrazide

C40H36N6O6S2 — CID 155527576

IUPAC3-[(4-methylphenyl)-[5-[[(4-methylphenyl)sulfonylamino]carbamoyl]-1H-indol-3-yl]methyl]-N'-(4-methylphenyl)sulfonyl-1H-indole-5-carbohydrazide
SMILESCc1ccc(C(c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4ccc(C)cc4)cc23)c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4ccc(C)cc4)cc23)cc1
InChIInChI=1S/C40H36N6O6S2/c1-24-4-10-27(11-5-24)38(34-22-41-36-18-12-28(20-32(34)36)39(47)43-45-53(49,50)30-14-6-25(2)7-15-30)35-23-42-37-19-13-29(21-33(35)37)40(48)44-46-54(51,52)31-16-8-26(3)9-17-31/h4-23,38,41-42,45-46H,1-3H3,(H,43,47)(H,44,48)
InChIKeyNDKDJTJPQZFXFS-UHFFFAOYSA-N
MW760.90 g/mol
LogP6.00
Rot. Bonds11

About 3-[(4-methylphenyl)-[5-[[(4-methylphenyl)sulfonylamino]carbamoyl]-1H-indol-3-yl]methyl]-N'-(4-methylphenyl)sulfonyl-1H-indole-5-carbohydrazide

3-[(4-methylphenyl)-[5-[[(4-methylphenyl)sulfonylamino]carbamoyl]-1H-indol-3-yl]methyl]-N'-(4-methylphenyl)sulfonyl-1H-indole-5-carbohydrazide (PubChem CID 155527576) has the molecular formula C40H36N6O6S2 and a molecular weight of 760.90 g/mol. Its IUPAC name is 3-[(4-methylphenyl)-[5-[[(4-methylphenyl)sulfonylamino]carbamoyl]-1H-indol-3-yl]methyl]-N'-(4-methylphenyl)sulfonyl-1H-indole-5-carbohydrazide.

Molecular Properties

Compound Name3-[(4-methylphenyl)-[5-[[(4-methylphenyl)sulfonylamino]carbamoyl]-1H-indol-3-yl]methyl]-N'-(4-methylphenyl)sulfonyl-1H-indole-5-carbohydrazide
PubChem CID155527576
Molecular FormulaC40H36N6O6S2
Molecular Weight760.90 g/mol
Exact Mass760.21
IUPAC Name3-[(4-methylphenyl)-[5-[[(4-methylphenyl)sulfonylamino]carbamoyl]-1H-indol-3-yl]methyl]-N'-(4-methylphenyl)sulfonyl-1H-indole-5-carbohydrazide
SMILESCc1ccc(C(c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4ccc(C)cc4)cc23)c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4ccc(C)cc4)cc23)cc1
InChIInChI=1S/C40H36N6O6S2/c1-24-4-10-27(11-5-24)38(34-22-41-36-18-12-28(20-32(34)36)39(47)43-45-53(49,50)30-14-6-25(2)7-15-30)35-23-42-37-19-13-29(21-33(35)37)40(48)44-46-54(51,52)31-16-8-26(3)9-17-31/h4-23,38,41-42,45-46H,1-3H3,(H,43,47)(H,44,48)
InChIKeyNDKDJTJPQZFXFS-UHFFFAOYSA-N
XLogP6.00
TPSA182.12 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500760.90
LogP ≤ 56.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(4-methylphenyl)-[5-[[(4-methylphenyl)sulfonylamino]carbamoyl]-1H-indol-3-yl]methyl]-N'-(4-methylphenyl)sulfonyl-1H-indole-5-carbohydrazide 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 3-[(4-methylphenyl)-[5-[[(4-methylphenyl)sulfonylamino]carbamoyl]-1H-indol-3-yl]methyl]-N'-(4-methylphenyl)sulfonyl-1H-indole-5-carbohydrazide?
The IUPAC name of 3-[(4-methylphenyl)-[5-[[(4-methylphenyl)sulfonylamino]carbamoyl]-1H-indol-3-yl]methyl]-N'-(4-methylphenyl)sulfonyl-1H-indole-5-carbohydrazide (CID 155527576) is 3-[(4-methylphenyl)-[5-[[(4-methylphenyl)sulfonylamino]carbamoyl]-1H-indol-3-yl]methyl]-N'-(4-methylphenyl)sulfonyl-1H-indole-5-carbohydrazide.
What is the SMILES notation for 3-[(4-methylphenyl)-[5-[[(4-methylphenyl)sulfonylamino]carbamoyl]-1H-indol-3-yl]methyl]-N'-(4-methylphenyl)sulfonyl-1H-indole-5-carbohydrazide?
The canonical SMILES for 3-[(4-methylphenyl)-[5-[[(4-methylphenyl)sulfonylamino]carbamoyl]-1H-indol-3-yl]methyl]-N'-(4-methylphenyl)sulfonyl-1H-indole-5-carbohydrazide is Cc1ccc(C(c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4ccc(C)cc4)cc23)c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4ccc(C)cc4)cc23)cc1.
What is the InChIKey of 3-[(4-methylphenyl)-[5-[[(4-methylphenyl)sulfonylamino]carbamoyl]-1H-indol-3-yl]methyl]-N'-(4-methylphenyl)sulfonyl-1H-indole-5-carbohydrazide?
The InChIKey is NDKDJTJPQZFXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N6O6S2/c1-24-4-10-27(11-5-24)38(34-22-41-36-18-12-28(20-32(34)36)39(47)43-45-53(49,50)30-14-6-25(2)7-15-30)35-23-42-37-19-13-29(21-33(35)37)40(48)44-46-54(51,52)31-16-8-26(3)9-17-31/h4-23,38,41-42,45-46H,1-3H3,(H,43,47)(H,44,48).
What are the key properties of 3-[(4-methylphenyl)-[5-[[(4-methylphenyl)sulfonylamino]carbamoyl]-1H-indol-3-yl]methyl]-N'-(4-methylphenyl)sulfonyl-1H-indole-5-carbohydrazide?
3-[(4-methylphenyl)-[5-[[(4-methylphenyl)sulfonylamino]carbamoyl]-1H-indol-3-yl]methyl]-N'-(4-methylphenyl)sulfonyl-1H-indole-5-carbohydrazide has a molecular weight of 760.90 g/mol, XLogP of 6.00, 11 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)-[5-[[(4-methylphenyl)sulfonylamino]carbamoyl]-1H-indol-3-yl]methyl]-N'-(4-methylphenyl)sulfonyl-1H-indole-5-carbohydrazide is sourced from PubChem (CID 155527576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).