4-(benzenesulfonyl)-N-(1-cyanocyclopropyl)-2-(piperazine-1-carbonyl)cyclopentane-1-carboxamide

C21H26N4O4S — CID 75299507

IUPAC4-(benzenesulfonyl)-N-(1-cyanocyclopropyl)-2-(piperazine-1-carbonyl)cyclopentane-1-carboxamide
SMILESN#CC1(NC(=O)C2CC(S(=O)(=O)c3ccccc3)CC2C(=O)N2CCNCC2)CC1
InChIInChI=1S/C21H26N4O4S/c22-14-21(6-7-21)24-19(26)17-12-16(30(28,29)15-4-2-1-3-5-15)13-18(17)20(27)25-10-8-23-9-11-25/h1-5,16-18,23H,6-13H2,(H,24,26)
InChIKeyYKVMSIMGSLZLEE-UHFFFAOYSA-N
MW430.53 g/mol
LogP0.46
Rot. Bonds5

About 4-(benzenesulfonyl)-N-(1-cyanocyclopropyl)-2-(piperazine-1-carbonyl)cyclopentane-1-carboxamide

4-(benzenesulfonyl)-N-(1-cyanocyclopropyl)-2-(piperazine-1-carbonyl)cyclopentane-1-carboxamide (PubChem CID 75299507) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-(1-cyanocyclopropyl)-2-(piperazine-1-carbonyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-(1-cyanocyclopropyl)-2-(piperazine-1-carbonyl)cyclopentane-1-carboxamide
PubChem CID75299507
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC Name4-(benzenesulfonyl)-N-(1-cyanocyclopropyl)-2-(piperazine-1-carbonyl)cyclopentane-1-carboxamide
SMILESN#CC1(NC(=O)C2CC(S(=O)(=O)c3ccccc3)CC2C(=O)N2CCNCC2)CC1
InChIInChI=1S/C21H26N4O4S/c22-14-21(6-7-21)24-19(26)17-12-16(30(28,29)15-4-2-1-3-5-15)13-18(17)20(27)25-10-8-23-9-11-25/h1-5,16-18,23H,6-13H2,(H,24,26)
InChIKeyYKVMSIMGSLZLEE-UHFFFAOYSA-N
XLogP0.46
TPSA119.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(benzenesulfonyl)-N-(1-cyanocyclopropyl)-2-(piperazine-1-carbonyl)cyclopentane-1-carboxamide 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

(1R,2R,4R)-4-(benzenesulfonyl)-N-(1-cyanocyclopropyl)-2-(piperidine-1-carbonyl)cyclopentane-1-carboxamide
CID 49834903
(1R,2R,4R)-4-(benzenesulfonyl)-N-(1-cyanocyclopropyl)-2-(4-hydroxypiperidine-1-carbonyl)cyclopentane-1-carboxamide
CID 49834904
(1R,2R,4R)-4-(benzenesulfonyl)-N-(1-cyanocyclopropyl)-2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclopentane-1-carboxamide
CID 49834907
(1R,2R,4R)-4-(benzenesulfonyl)-N-(1-cyanocyclopropyl)-2-(4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxamide
CID 49834971
(1R,2R,4R)-4-benzenesulfonyl-2-(morpholine-4-carbonyl)-cyclopentanecarboxylic acid cyanomethyl-amide
CID 49835673
(1R,2R,4R)-4-(benzenesulfonyl)-N-(1-cyanocyclopropyl)-2-(morpholine-4-carbonyl)cyclopentane-1-carboxamide
CID 49835674
(1R,2R,4R)-4-(benzenesulfonyl)-N-(1-cyanocyclopropyl)-2-(piperazine-1-carbonyl)cyclopentane-1-carboxamide
CID 49834905
(1R,2R,4R)-4-(benzenesulfonyl)-N-(1-cyanocyclopropyl)-2-(3-hydroxyazetidine-1-carbonyl)cyclopentane-1-carboxamide
CID 49834906
(1R,2R,4R)-4-(benzenesulfonyl)-N-(1-cyanocyclopropyl)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentane-1-carboxamide
CID 49834972
(1R,2R,4R)-4-(benzenesulfonyl)-N-(1-cyanocyclopropyl)-2-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxamide
CID 49834975
(1R,2R,4R)-2-(azetidine-1-carbonyl)-4-(benzenesulfonyl)-N-(1-cyanocyclopropyl)cyclopentane-1-carboxamide
CID 49835032
(1R,2R,4R)-4-(benzenesulfonyl)-N-(1-cyanocyclopropyl)-2-(4-methylpiperazine-1-carbonyl)cyclopentane-1-carboxamide
CID 49835033

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-(1-cyanocyclopropyl)-2-(piperazine-1-carbonyl)cyclopentane-1-carboxamide?
The IUPAC name of 4-(benzenesulfonyl)-N-(1-cyanocyclopropyl)-2-(piperazine-1-carbonyl)cyclopentane-1-carboxamide (CID 75299507) is 4-(benzenesulfonyl)-N-(1-cyanocyclopropyl)-2-(piperazine-1-carbonyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-(1-cyanocyclopropyl)-2-(piperazine-1-carbonyl)cyclopentane-1-carboxamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-(1-cyanocyclopropyl)-2-(piperazine-1-carbonyl)cyclopentane-1-carboxamide is N#CC1(NC(=O)C2CC(S(=O)(=O)c3ccccc3)CC2C(=O)N2CCNCC2)CC1.
What is the InChIKey of 4-(benzenesulfonyl)-N-(1-cyanocyclopropyl)-2-(piperazine-1-carbonyl)cyclopentane-1-carboxamide?
The InChIKey is YKVMSIMGSLZLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c22-14-21(6-7-21)24-19(26)17-12-16(30(28,29)15-4-2-1-3-5-15)13-18(17)20(27)25-10-8-23-9-11-25/h1-5,16-18,23H,6-13H2,(H,24,26).
What are the key properties of 4-(benzenesulfonyl)-N-(1-cyanocyclopropyl)-2-(piperazine-1-carbonyl)cyclopentane-1-carboxamide?
4-(benzenesulfonyl)-N-(1-cyanocyclopropyl)-2-(piperazine-1-carbonyl)cyclopentane-1-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-(1-cyanocyclopropyl)-2-(piperazine-1-carbonyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 75299507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).