5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluoro-N-pyrrolidin-1-ylsulfonylbenzamide

C23H33FN2O4S — CID 130457843

IUPAC5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluoro-N-pyrrolidin-1-ylsulfonylbenzamide
SMILESC=CCC(CC)(CC)COc1cc(F)c(C(=O)NS(=O)(=O)N2CCCC2)cc1C1CC1
InChIInChI=1S/C23H33FN2O4S/c1-4-11-23(5-2,6-3)16-30-21-15-20(24)19(14-18(21)17-9-10-17)22(27)25-31(28,29)26-12-7-8-13-26/h4,14-15,17H,1,5-13,16H2,2-3H3,(H,25,27)
InChIKeyVCHYLVUPWOINEZ-UHFFFAOYSA-N
MW452.59 g/mol
LogP4.53
Rot. Bonds11

About 5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluoro-N-pyrrolidin-1-ylsulfonylbenzamide

5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluoro-N-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 130457843) has the molecular formula C23H33FN2O4S and a molecular weight of 452.59 g/mol. Its IUPAC name is 5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluoro-N-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluoro-N-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID130457843
Molecular FormulaC23H33FN2O4S
Molecular Weight452.59 g/mol
Exact Mass452.21
IUPAC Name5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluoro-N-pyrrolidin-1-ylsulfonylbenzamide
SMILESC=CCC(CC)(CC)COc1cc(F)c(C(=O)NS(=O)(=O)N2CCCC2)cc1C1CC1
InChIInChI=1S/C23H33FN2O4S/c1-4-11-23(5-2,6-3)16-30-21-15-20(24)19(14-18(21)17-9-10-17)22(27)25-31(28,29)26-12-7-8-13-26/h4,14-15,17H,1,5-13,16H2,2-3H3,(H,25,27)
InChIKeyVCHYLVUPWOINEZ-UHFFFAOYSA-N
XLogP4.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.59
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluoro-N-pyrrolidin-1-ylsulfonylbenzamide 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

5-cyclopropyl-N-cyclopropylsulfonyl-4-(2,2-diethylpent-4-enoxy)-2-fluorobenzamide
CID 130457764
N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-4-[(4,4-dimethylcyclohexyl)methoxy]-2-fluorobenzamide
CID 86703498
1-[5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluorobenzoyl]-5,5-dimethylpyrrolidine-2-carboxylic acid
CID 137458320
(4R,5S)-3-[5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid
CID 130192361
N-(azetidin-1-ylsulfonyl)-4-(3-bicyclo[4.1.0]heptanyloxy)-5-cyclopropyl-2-fluorobenzamide
CID 123593499
N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-2-fluoro-4-spiro[2.5]octan-6-yloxybenzamide
CID 86703800
4-(cyclopentylmethoxy)-5-cyclopropyl-2-fluoro-N-(3-methoxyazetidin-1-yl)sulfonylbenzamide
CID 86703622
N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-4-[(8,8-difluoro-1-bicyclo[4.2.0]octanyl)methoxy]-2-fluorobenzamide
CID 123604498
5-cyclopropyl-4-(cyclopropylmethoxy)-2-fluoro-N-[4-(1-methylazetidin-3-yl)oxypiperidin-1-yl]sulfonylbenzamide
CID 167488808
N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-2-fluoro-4-[(5-fluoro-2-adamantyl)oxy]benzamide
CID 91809401
4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluoro-N-(2-oxa-7-azaspiro[3.5]nonan-7-ylsulfonyl)benzamide
CID 90016454
N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-4-[1-(3,5-dichlorophenyl)piperidin-3-yl]oxy-2-fluorobenzamide
CID 118353802

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluoro-N-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluoro-N-pyrrolidin-1-ylsulfonylbenzamide (CID 130457843) is 5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluoro-N-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluoro-N-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluoro-N-pyrrolidin-1-ylsulfonylbenzamide is C=CCC(CC)(CC)COc1cc(F)c(C(=O)NS(=O)(=O)N2CCCC2)cc1C1CC1.
What is the InChIKey of 5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluoro-N-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is VCHYLVUPWOINEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN2O4S/c1-4-11-23(5-2,6-3)16-30-21-15-20(24)19(14-18(21)17-9-10-17)22(27)25-31(28,29)26-12-7-8-13-26/h4,14-15,17H,1,5-13,16H2,2-3H3,(H,25,27).
What are the key properties of 5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluoro-N-pyrrolidin-1-ylsulfonylbenzamide?
5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluoro-N-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 452.59 g/mol, XLogP of 4.53, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluoro-N-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 130457843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).