N-(5-chloro-1,3-thiazol-2-yl)-4-cyclopentyl-4-(1-propylsulfonylpiperidin-4-yl)butanamide

C20H32ClN3O3S2 — CID 143074649

IUPACN-(5-chloro-1,3-thiazol-2-yl)-4-cyclopentyl-4-(1-propylsulfonylpiperidin-4-yl)butanamide
SMILESCCCS(=O)(=O)N1CCC(C(CCC(=O)Nc2ncc(Cl)s2)C2CCCC2)CC1
InChIInChI=1S/C20H32ClN3O3S2/c1-2-13-29(26,27)24-11-9-16(10-12-24)17(15-5-3-4-6-15)7-8-19(25)23-20-22-14-18(21)28-20/h14-17H,2-13H2,1H3,(H,22,23,25)
InChIKeyWPBYZLVZDKJINY-UHFFFAOYSA-N
MW462.08 g/mol
LogP4.77
Rot. Bonds9

About N-(5-chloro-1,3-thiazol-2-yl)-4-cyclopentyl-4-(1-propylsulfonylpiperidin-4-yl)butanamide

N-(5-chloro-1,3-thiazol-2-yl)-4-cyclopentyl-4-(1-propylsulfonylpiperidin-4-yl)butanamide (PubChem CID 143074649) has the molecular formula C20H32ClN3O3S2 and a molecular weight of 462.08 g/mol. Its IUPAC name is N-(5-chloro-1,3-thiazol-2-yl)-4-cyclopentyl-4-(1-propylsulfonylpiperidin-4-yl)butanamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-thiazol-2-yl)-4-cyclopentyl-4-(1-propylsulfonylpiperidin-4-yl)butanamide
PubChem CID143074649
Molecular FormulaC20H32ClN3O3S2
Molecular Weight462.08 g/mol
Exact Mass461.16
IUPAC NameN-(5-chloro-1,3-thiazol-2-yl)-4-cyclopentyl-4-(1-propylsulfonylpiperidin-4-yl)butanamide
SMILESCCCS(=O)(=O)N1CCC(C(CCC(=O)Nc2ncc(Cl)s2)C2CCCC2)CC1
InChIInChI=1S/C20H32ClN3O3S2/c1-2-13-29(26,27)24-11-9-16(10-12-24)17(15-5-3-4-6-15)7-8-19(25)23-20-22-14-18(21)28-20/h14-17H,2-13H2,1H3,(H,22,23,25)
InChIKeyWPBYZLVZDKJINY-UHFFFAOYSA-N
XLogP4.77
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.08
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-4-cyclopentyl-4-(1-propylsulfonylpiperidin-4-yl)butanamide?
The IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-4-cyclopentyl-4-(1-propylsulfonylpiperidin-4-yl)butanamide (CID 143074649) is N-(5-chloro-1,3-thiazol-2-yl)-4-cyclopentyl-4-(1-propylsulfonylpiperidin-4-yl)butanamide.
What is the SMILES notation for N-(5-chloro-1,3-thiazol-2-yl)-4-cyclopentyl-4-(1-propylsulfonylpiperidin-4-yl)butanamide?
The canonical SMILES for N-(5-chloro-1,3-thiazol-2-yl)-4-cyclopentyl-4-(1-propylsulfonylpiperidin-4-yl)butanamide is CCCS(=O)(=O)N1CCC(C(CCC(=O)Nc2ncc(Cl)s2)C2CCCC2)CC1.
What is the InChIKey of N-(5-chloro-1,3-thiazol-2-yl)-4-cyclopentyl-4-(1-propylsulfonylpiperidin-4-yl)butanamide?
The InChIKey is WPBYZLVZDKJINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32ClN3O3S2/c1-2-13-29(26,27)24-11-9-16(10-12-24)17(15-5-3-4-6-15)7-8-19(25)23-20-22-14-18(21)28-20/h14-17H,2-13H2,1H3,(H,22,23,25).
What are the key properties of N-(5-chloro-1,3-thiazol-2-yl)-4-cyclopentyl-4-(1-propylsulfonylpiperidin-4-yl)butanamide?
N-(5-chloro-1,3-thiazol-2-yl)-4-cyclopentyl-4-(1-propylsulfonylpiperidin-4-yl)butanamide has a molecular weight of 462.08 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-thiazol-2-yl)-4-cyclopentyl-4-(1-propylsulfonylpiperidin-4-yl)butanamide is sourced from PubChem (CID 143074649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).