N-(3-cyclopentylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)oxybenzamide

C21H32N2O4S — CID 24793862

IUPACN-(3-cyclopentylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
SMILESCS(=O)(=O)N1CCC(Oc2cccc(C(=O)NCCCC3CCCC3)c2)CC1
InChIInChI=1S/C21H32N2O4S/c1-28(25,26)23-14-11-19(12-15-23)27-20-10-4-9-18(16-20)21(24)22-13-5-8-17-6-2-3-7-17/h4,9-10,16-17,19H,2-3,5-8,11-15H2,1H3,(H,22,24)
InChIKeyGWMDAADPKXXXJO-UHFFFAOYSA-N
MW408.56 g/mol
LogP3.19
Rot. Bonds8

About N-(3-cyclopentylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)oxybenzamide

N-(3-cyclopentylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)oxybenzamide (PubChem CID 24793862) has the molecular formula C21H32N2O4S and a molecular weight of 408.56 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)oxybenzamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
PubChem CID24793862
Molecular FormulaC21H32N2O4S
Molecular Weight408.56 g/mol
Exact Mass408.21
IUPAC NameN-(3-cyclopentylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
SMILESCS(=O)(=O)N1CCC(Oc2cccc(C(=O)NCCCC3CCCC3)c2)CC1
InChIInChI=1S/C21H32N2O4S/c1-28(25,26)23-14-11-19(12-15-23)27-20-10-4-9-18(16-20)21(24)22-13-5-8-17-6-2-3-7-17/h4,9-10,16-17,19H,2-3,5-8,11-15H2,1H3,(H,22,24)
InChIKeyGWMDAADPKXXXJO-UHFFFAOYSA-N
XLogP3.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.56
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)oxybenzamide?
The IUPAC name of N-(3-cyclopentylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)oxybenzamide (CID 24793862) is N-(3-cyclopentylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)oxybenzamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)oxybenzamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)oxybenzamide is CS(=O)(=O)N1CCC(Oc2cccc(C(=O)NCCCC3CCCC3)c2)CC1.
What is the InChIKey of N-(3-cyclopentylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)oxybenzamide?
The InChIKey is GWMDAADPKXXXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4S/c1-28(25,26)23-14-11-19(12-15-23)27-20-10-4-9-18(16-20)21(24)22-13-5-8-17-6-2-3-7-17/h4,9-10,16-17,19H,2-3,5-8,11-15H2,1H3,(H,22,24).
What are the key properties of N-(3-cyclopentylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)oxybenzamide?
N-(3-cyclopentylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)oxybenzamide has a molecular weight of 408.56 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)oxybenzamide is sourced from PubChem (CID 24793862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).