2-cyclopentyl-N-(4-fluorophenyl)-N'-(2-phenylethenylsulfonyl)-N-propan-2-ylpropanediamide

C25H29FN2O4S — CID 68506181

IUPAC2-cyclopentyl-N-(4-fluorophenyl)-N'-(2-phenylethenylsulfonyl)-N-propan-2-ylpropanediamide
SMILESCC(C)N(C(=O)C(C(=O)NS(=O)(=O)C=Cc1ccccc1)C1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C25H29FN2O4S/c1-18(2)28(22-14-12-21(26)13-15-22)25(30)23(20-10-6-7-11-20)24(29)27-33(31,32)17-16-19-8-4-3-5-9-19/h3-5,8-9,12-18,20,23H,6-7,10-11H2,1-2H3,(H,27,29)
InChIKeyHIFHVKDDTGTXJA-UHFFFAOYSA-N
MW472.58 g/mol
LogP4.49
Rot. Bonds8

About 2-cyclopentyl-N-(4-fluorophenyl)-N'-(2-phenylethenylsulfonyl)-N-propan-2-ylpropanediamide

2-cyclopentyl-N-(4-fluorophenyl)-N'-(2-phenylethenylsulfonyl)-N-propan-2-ylpropanediamide (PubChem CID 68506181) has the molecular formula C25H29FN2O4S and a molecular weight of 472.58 g/mol. Its IUPAC name is 2-cyclopentyl-N-(4-fluorophenyl)-N'-(2-phenylethenylsulfonyl)-N-propan-2-ylpropanediamide.

Molecular Properties

Compound Name2-cyclopentyl-N-(4-fluorophenyl)-N'-(2-phenylethenylsulfonyl)-N-propan-2-ylpropanediamide
PubChem CID68506181
Molecular FormulaC25H29FN2O4S
Molecular Weight472.58 g/mol
Exact Mass472.18
IUPAC Name2-cyclopentyl-N-(4-fluorophenyl)-N'-(2-phenylethenylsulfonyl)-N-propan-2-ylpropanediamide
SMILESCC(C)N(C(=O)C(C(=O)NS(=O)(=O)C=Cc1ccccc1)C1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C25H29FN2O4S/c1-18(2)28(22-14-12-21(26)13-15-22)25(30)23(20-10-6-7-11-20)24(29)27-33(31,32)17-16-19-8-4-3-5-9-19/h3-5,8-9,12-18,20,23H,6-7,10-11H2,1-2H3,(H,27,29)
InChIKeyHIFHVKDDTGTXJA-UHFFFAOYSA-N
XLogP4.49
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.58
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyanoethyl)-N-(4-fluorophenyl)-N'-(2-phenylethenylsulfonyl)-N-propan-2-ylpropanediamide
CID 68510500
2-[(3-cyanophenyl)methyl]-N-(4-fluorophenyl)-N'-(2-phenylethenylsulfonyl)-N-propan-2-ylpropanediamide
CID 68506196
N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-pentan-3-yl-N'-(2-phenylethenylsulfonyl)propanediamide
CID 68506234
N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-N'-(2-phenylethenylsulfonyl)propanediamide
CID 68511463
(Z)-N-cyclohexyl-2-phenylethenesulfonamide
CID 2458985
N-(4-fluorophenyl)-2-(2-methylpropyl)-N-propan-2-yl-N'-[2-(1,3-thiazol-2-yl)ethenylsulfonyl]propanediamide
CID 68504031
2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(E)-2-phenylethenyl]sulfonylpent-4-enamide
CID 68513097
N-(2-phenylethenylsulfonyl)-2-phenylmethoxypropanamide
CID 103598013
(E)-2-phenyl-N-propan-2-ylethenesulfonamide
CID 23548846
methyl N-[(E)-2-phenylethenyl]sulfonylcarbamate
CID 139258056
N-benzyl-2-(2-methylpropyl)-N'-(2-phenylethenylsulfonyl)-N-propan-2-ylpropanediamide
CID 68506045
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 7826915

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-(4-fluorophenyl)-N'-(2-phenylethenylsulfonyl)-N-propan-2-ylpropanediamide?
The IUPAC name of 2-cyclopentyl-N-(4-fluorophenyl)-N'-(2-phenylethenylsulfonyl)-N-propan-2-ylpropanediamide (CID 68506181) is 2-cyclopentyl-N-(4-fluorophenyl)-N'-(2-phenylethenylsulfonyl)-N-propan-2-ylpropanediamide.
What is the SMILES notation for 2-cyclopentyl-N-(4-fluorophenyl)-N'-(2-phenylethenylsulfonyl)-N-propan-2-ylpropanediamide?
The canonical SMILES for 2-cyclopentyl-N-(4-fluorophenyl)-N'-(2-phenylethenylsulfonyl)-N-propan-2-ylpropanediamide is CC(C)N(C(=O)C(C(=O)NS(=O)(=O)C=Cc1ccccc1)C1CCCC1)c1ccc(F)cc1.
What is the InChIKey of 2-cyclopentyl-N-(4-fluorophenyl)-N'-(2-phenylethenylsulfonyl)-N-propan-2-ylpropanediamide?
The InChIKey is HIFHVKDDTGTXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O4S/c1-18(2)28(22-14-12-21(26)13-15-22)25(30)23(20-10-6-7-11-20)24(29)27-33(31,32)17-16-19-8-4-3-5-9-19/h3-5,8-9,12-18,20,23H,6-7,10-11H2,1-2H3,(H,27,29).
What are the key properties of 2-cyclopentyl-N-(4-fluorophenyl)-N'-(2-phenylethenylsulfonyl)-N-propan-2-ylpropanediamide?
2-cyclopentyl-N-(4-fluorophenyl)-N'-(2-phenylethenylsulfonyl)-N-propan-2-ylpropanediamide has a molecular weight of 472.58 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(4-fluorophenyl)-N'-(2-phenylethenylsulfonyl)-N-propan-2-ylpropanediamide is sourced from PubChem (CID 68506181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).