2,5-dimethyl-1-phenyl-N'-[(E)-2-phenylethenyl]sulfonylpyrrole-3-carbohydrazide

C21H21N3O3S — CID 8505015

IUPAC2,5-dimethyl-1-phenyl-N'-[(E)-2-phenylethenyl]sulfonylpyrrole-3-carbohydrazide
SMILESCc1cc(C(=O)NNS(=O)(=O)/C=C/c2ccccc2)c(C)n1-c1ccccc1
InChIInChI=1S/C21H21N3O3S/c1-16-15-20(17(2)24(16)19-11-7-4-8-12-19)21(25)22-23-28(26,27)14-13-18-9-5-3-6-10-18/h3-15,23H,1-2H3,(H,22,25)/b14-13+
InChIKeyRUPPEYJUNFPWCC-BUHFOSPRSA-N
MW395.48 g/mol
LogP3.33
Rot. Bonds6

About 2,5-dimethyl-1-phenyl-N'-[(E)-2-phenylethenyl]sulfonylpyrrole-3-carbohydrazide

2,5-dimethyl-1-phenyl-N'-[(E)-2-phenylethenyl]sulfonylpyrrole-3-carbohydrazide (PubChem CID 8505015) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 2,5-dimethyl-1-phenyl-N'-[(E)-2-phenylethenyl]sulfonylpyrrole-3-carbohydrazide.

Molecular Properties

Compound Name2,5-dimethyl-1-phenyl-N'-[(E)-2-phenylethenyl]sulfonylpyrrole-3-carbohydrazide
PubChem CID8505015
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name2,5-dimethyl-1-phenyl-N'-[(E)-2-phenylethenyl]sulfonylpyrrole-3-carbohydrazide
SMILESCc1cc(C(=O)NNS(=O)(=O)/C=C/c2ccccc2)c(C)n1-c1ccccc1
InChIInChI=1S/C21H21N3O3S/c1-16-15-20(17(2)24(16)19-11-7-4-8-12-19)21(25)22-23-28(26,27)14-13-18-9-5-3-6-10-18/h3-15,23H,1-2H3,(H,22,25)/b14-13+
InChIKeyRUPPEYJUNFPWCC-BUHFOSPRSA-N
XLogP3.33
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,5-dimethyl-1-phenyl-N'-[(E)-2-phenylethenyl]sulfonylpyrrole-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-ethoxyphenyl)sulfonyl-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 7940958
N-[(E)-benzylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 42991403
N'-(3-chloro-4-fluorophenyl)sulfonyl-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 26980835
4-[[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]carbamoyl]benzamide
CID 27683580
2,5-dimethyl-N'-(4-phenoxybutanoyl)-1-phenylpyrrole-3-carbohydrazide
CID 40713988
methyl 4-[[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]carbamoyl]benzoate
CID 40714036
2,5-dimethyl-N'-(3-methylquinolin-8-yl)sulfonyl-1-phenylpyrrole-3-carbohydrazide
CID 31046524
N'-(3,4-difluorobenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 40673432
2,5-dimethyl-1-phenyl-N'-(3-phenylpropanoyl)pyrrole-3-carbohydrazide
CID 40714000
N'-[(E)-2-phenylethenyl]sulfonyl-1H-indole-3-carbohydrazide
CID 26980112
methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 14611450
2,5-dimethyl-1-phenyl-N-phenylmethoxypyrrole-3-carboxamide
CID 32577143

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-phenyl-N'-[(E)-2-phenylethenyl]sulfonylpyrrole-3-carbohydrazide?
The IUPAC name of 2,5-dimethyl-1-phenyl-N'-[(E)-2-phenylethenyl]sulfonylpyrrole-3-carbohydrazide (CID 8505015) is 2,5-dimethyl-1-phenyl-N'-[(E)-2-phenylethenyl]sulfonylpyrrole-3-carbohydrazide.
What is the SMILES notation for 2,5-dimethyl-1-phenyl-N'-[(E)-2-phenylethenyl]sulfonylpyrrole-3-carbohydrazide?
The canonical SMILES for 2,5-dimethyl-1-phenyl-N'-[(E)-2-phenylethenyl]sulfonylpyrrole-3-carbohydrazide is Cc1cc(C(=O)NNS(=O)(=O)/C=C/c2ccccc2)c(C)n1-c1ccccc1.
What is the InChIKey of 2,5-dimethyl-1-phenyl-N'-[(E)-2-phenylethenyl]sulfonylpyrrole-3-carbohydrazide?
The InChIKey is RUPPEYJUNFPWCC-BUHFOSPRSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-16-15-20(17(2)24(16)19-11-7-4-8-12-19)21(25)22-23-28(26,27)14-13-18-9-5-3-6-10-18/h3-15,23H,1-2H3,(H,22,25)/b14-13+.
What are the key properties of 2,5-dimethyl-1-phenyl-N'-[(E)-2-phenylethenyl]sulfonylpyrrole-3-carbohydrazide?
2,5-dimethyl-1-phenyl-N'-[(E)-2-phenylethenyl]sulfonylpyrrole-3-carbohydrazide has a molecular weight of 395.48 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-phenyl-N'-[(E)-2-phenylethenyl]sulfonylpyrrole-3-carbohydrazide is sourced from PubChem (CID 8505015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).