N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-dimethoxybenzamide

C18H25NO5S — CID 17457306

IUPACN-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N(C2CCCC2)C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C18H25NO5S/c1-23-16-9-13(10-17(11-16)24-2)18(20)19(14-5-3-4-6-14)15-7-8-25(21,22)12-15/h9-11,14-15H,3-8,12H2,1-2H3
InChIKeyWCYPWIGZUQOXML-UHFFFAOYSA-N
MW367.47 g/mol
LogP2.28
Rot. Bonds5

About N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-dimethoxybenzamide

N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-dimethoxybenzamide (PubChem CID 17457306) has the molecular formula C18H25NO5S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-dimethoxybenzamide
PubChem CID17457306
Molecular FormulaC18H25NO5S
Molecular Weight367.47 g/mol
Exact Mass367.15
IUPAC NameN-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N(C2CCCC2)C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C18H25NO5S/c1-23-16-9-13(10-17(11-16)24-2)18(20)19(14-5-3-4-6-14)15-7-8-25(21,22)12-15/h9-11,14-15H,3-8,12H2,1-2H3
InChIKeyWCYPWIGZUQOXML-UHFFFAOYSA-N
XLogP2.28
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-dimethoxybenzamide?
The IUPAC name of N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-dimethoxybenzamide (CID 17457306) is N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)N(C2CCCC2)C2CCS(=O)(=O)C2)c1.
What is the InChIKey of N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-dimethoxybenzamide?
The InChIKey is WCYPWIGZUQOXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5S/c1-23-16-9-13(10-17(11-16)24-2)18(20)19(14-5-3-4-6-14)15-7-8-25(21,22)12-15/h9-11,14-15H,3-8,12H2,1-2H3.
What are the key properties of N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-dimethoxybenzamide?
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-dimethoxybenzamide has a molecular weight of 367.47 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 17457306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).