2-(2-methylpropyl)-N-[(E)-2-phenylethenyl]sulfonyl-N'-propan-2-yl-N'-pyridin-3-ylpropanediamide

C23H29N3O4S — CID 68507088

IUPAC2-(2-methylpropyl)-N-[(E)-2-phenylethenyl]sulfonyl-N'-propan-2-yl-N'-pyridin-3-ylpropanediamide
SMILESCC(C)CC(C(=O)NS(=O)(=O)/C=C/c1ccccc1)C(=O)N(c1cccnc1)C(C)C
InChIInChI=1S/C23H29N3O4S/c1-17(2)15-21(23(28)26(18(3)4)20-11-8-13-24-16-20)22(27)25-31(29,30)14-12-19-9-6-5-7-10-19/h5-14,16-18,21H,15H2,1-4H3,(H,25,27)/b14-12+
InChIKeyLEFSAUAGZIFEFP-WYMLVPIESA-N
MW443.57 g/mol
LogP3.60
Rot. Bonds9

About 2-(2-methylpropyl)-N-[(E)-2-phenylethenyl]sulfonyl-N'-propan-2-yl-N'-pyridin-3-ylpropanediamide

2-(2-methylpropyl)-N-[(E)-2-phenylethenyl]sulfonyl-N'-propan-2-yl-N'-pyridin-3-ylpropanediamide (PubChem CID 68507088) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is 2-(2-methylpropyl)-N-[(E)-2-phenylethenyl]sulfonyl-N'-propan-2-yl-N'-pyridin-3-ylpropanediamide.

Molecular Properties

Compound Name2-(2-methylpropyl)-N-[(E)-2-phenylethenyl]sulfonyl-N'-propan-2-yl-N'-pyridin-3-ylpropanediamide
PubChem CID68507088
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name2-(2-methylpropyl)-N-[(E)-2-phenylethenyl]sulfonyl-N'-propan-2-yl-N'-pyridin-3-ylpropanediamide
SMILESCC(C)CC(C(=O)NS(=O)(=O)/C=C/c1ccccc1)C(=O)N(c1cccnc1)C(C)C
InChIInChI=1S/C23H29N3O4S/c1-17(2)15-21(23(28)26(18(3)4)20-11-8-13-24-16-20)22(27)25-31(29,30)14-12-19-9-6-5-7-10-19/h5-14,16-18,21H,15H2,1-4H3,(H,25,27)/b14-12+
InChIKeyLEFSAUAGZIFEFP-WYMLVPIESA-N
XLogP3.60
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-(2-methylpropyl)-N-[(E)-2-phenylethenyl]sulfonyl-N'-propan-2-yl-N'-pyridin-3-ylpropanediamide 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-benzyl-2-(2-methylpropyl)-N'-(2-phenylethenylsulfonyl)-N-propan-2-ylpropanediamide
CID 68506045
2-(2-cyanoethyl)-N-(4-fluorophenyl)-N'-(2-phenylethenylsulfonyl)-N-propan-2-ylpropanediamide
CID 68510500
2-(cyanomethyl)-N-ethyl-N-phenyl-N'-(2-phenylethenylsulfonyl)propanediamide
CID 68507368
2-[(3-cyanophenyl)methyl]-N-(4-fluorophenyl)-N'-(2-phenylethenylsulfonyl)-N-propan-2-ylpropanediamide
CID 68506196
N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-N'-(2-phenylethenylsulfonyl)propanediamide
CID 68511463
N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-pentan-3-yl-N'-(2-phenylethenylsulfonyl)propanediamide
CID 68506234
1-[(E)-2-phenylethenyl]sulfonyl-N-propan-2-yl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 86847677
4-[2-[ethyl(phenyl)carbamoyl]-3-oxo-3-[[(E)-2-phenylethenyl]sulfonylamino]propyl]benzoic acid
CID 68505367
2-cyclopentyl-N-(4-fluorophenyl)-N'-(2-phenylethenylsulfonyl)-N-propan-2-ylpropanediamide
CID 68506181
N-ethyl-N-phenyl-N'-[(E)-2-phenylethenyl]sulfonyl-2-[[1-(1-phenylethyl)pyrazol-4-yl]methyl]propanediamide
CID 68509098
N-ethyl-N-phenyl-N'-(2-phenylethenylsulfonyl)-2-[(3-phenylphenyl)methyl]propanediamide
CID 68512049
ethyl 2-[[(E)-2-phenylethenyl]sulfonylcarbamoyl]pent-4-ynoate
CID 87479038

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-N-[(E)-2-phenylethenyl]sulfonyl-N'-propan-2-yl-N'-pyridin-3-ylpropanediamide?
The IUPAC name of 2-(2-methylpropyl)-N-[(E)-2-phenylethenyl]sulfonyl-N'-propan-2-yl-N'-pyridin-3-ylpropanediamide (CID 68507088) is 2-(2-methylpropyl)-N-[(E)-2-phenylethenyl]sulfonyl-N'-propan-2-yl-N'-pyridin-3-ylpropanediamide.
What is the SMILES notation for 2-(2-methylpropyl)-N-[(E)-2-phenylethenyl]sulfonyl-N'-propan-2-yl-N'-pyridin-3-ylpropanediamide?
The canonical SMILES for 2-(2-methylpropyl)-N-[(E)-2-phenylethenyl]sulfonyl-N'-propan-2-yl-N'-pyridin-3-ylpropanediamide is CC(C)CC(C(=O)NS(=O)(=O)/C=C/c1ccccc1)C(=O)N(c1cccnc1)C(C)C.
What is the InChIKey of 2-(2-methylpropyl)-N-[(E)-2-phenylethenyl]sulfonyl-N'-propan-2-yl-N'-pyridin-3-ylpropanediamide?
The InChIKey is LEFSAUAGZIFEFP-WYMLVPIESA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-17(2)15-21(23(28)26(18(3)4)20-11-8-13-24-16-20)22(27)25-31(29,30)14-12-19-9-6-5-7-10-19/h5-14,16-18,21H,15H2,1-4H3,(H,25,27)/b14-12+.
What are the key properties of 2-(2-methylpropyl)-N-[(E)-2-phenylethenyl]sulfonyl-N'-propan-2-yl-N'-pyridin-3-ylpropanediamide?
2-(2-methylpropyl)-N-[(E)-2-phenylethenyl]sulfonyl-N'-propan-2-yl-N'-pyridin-3-ylpropanediamide has a molecular weight of 443.57 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-N-[(E)-2-phenylethenyl]sulfonyl-N'-propan-2-yl-N'-pyridin-3-ylpropanediamide is sourced from PubChem (CID 68507088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).