3-methylidene-1-N,2-N-bis[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1,2-dicarboxamide

C32H30N4O6S2 — CID 5216824

IUPAC3-methylidene-1-N,2-N-bis[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1,2-dicarboxamide
SMILESC=C1C(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)C1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C32H30N4O6S2/c1-20-4-16-27(17-5-20)43(39,40)35-25-12-8-23(9-13-25)33-31(37)29-22(3)30(29)32(38)34-24-10-14-26(15-11-24)36-44(41,42)28-18-6-21(2)7-19-28/h4-19,29-30,35-36H,3H2,1-2H3,(H,33,37)(H,34,38)
InChIKeyCTQDSJRNXOQIJW-UHFFFAOYSA-N
MW630.75 g/mol
LogP5.28
Rot. Bonds10

About 3-methylidene-1-N,2-N-bis[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1,2-dicarboxamide

3-methylidene-1-N,2-N-bis[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1,2-dicarboxamide (PubChem CID 5216824) has the molecular formula C32H30N4O6S2 and a molecular weight of 630.75 g/mol. Its IUPAC name is 3-methylidene-1-N,2-N-bis[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name3-methylidene-1-N,2-N-bis[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1,2-dicarboxamide
PubChem CID5216824
Molecular FormulaC32H30N4O6S2
Molecular Weight630.75 g/mol
Exact Mass630.16
IUPAC Name3-methylidene-1-N,2-N-bis[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1,2-dicarboxamide
SMILESC=C1C(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)C1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C32H30N4O6S2/c1-20-4-16-27(17-5-20)43(39,40)35-25-12-8-23(9-13-25)33-31(37)29-22(3)30(29)32(38)34-24-10-14-26(15-11-24)36-44(41,42)28-18-6-21(2)7-19-28/h4-19,29-30,35-36H,3H2,1-2H3,(H,33,37)(H,34,38)
InChIKeyCTQDSJRNXOQIJW-UHFFFAOYSA-N
XLogP5.28
TPSA150.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.75
LogP ≤ 55.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-methylidene-1-N,2-N-bis[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1,2-dicarboxamide 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-methylidene-1-N,2-N-bis[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 3-methylidene-1-N,2-N-bis[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1,2-dicarboxamide (CID 5216824) is 3-methylidene-1-N,2-N-bis[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 3-methylidene-1-N,2-N-bis[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 3-methylidene-1-N,2-N-bis[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1,2-dicarboxamide is C=C1C(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)C1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 3-methylidene-1-N,2-N-bis[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is CTQDSJRNXOQIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O6S2/c1-20-4-16-27(17-5-20)43(39,40)35-25-12-8-23(9-13-25)33-31(37)29-22(3)30(29)32(38)34-24-10-14-26(15-11-24)36-44(41,42)28-18-6-21(2)7-19-28/h4-19,29-30,35-36H,3H2,1-2H3,(H,33,37)(H,34,38).
What are the key properties of 3-methylidene-1-N,2-N-bis[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1,2-dicarboxamide?
3-methylidene-1-N,2-N-bis[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 630.75 g/mol, XLogP of 5.28, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-N,2-N-bis[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 5216824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).