2-(4-cyanophenoxy)-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide

C18H22N2O4S — CID 9415712

IUPAC2-(4-cyanophenoxy)-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESN#Cc1ccc(OCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C18H22N2O4S/c19-11-14-5-7-17(8-6-14)24-12-18(21)20(15-3-1-2-4-15)16-9-10-25(22,23)13-16/h5-8,15-16H,1-4,9-10,12-13H2/t16-/m1/s1
InChIKeyYWSBUSZZQIISQE-MRXNPFEDSA-N
MW362.45 g/mol
LogP1.90
Rot. Bonds5

About 2-(4-cyanophenoxy)-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide

2-(4-cyanophenoxy)-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 9415712) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID9415712
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name2-(4-cyanophenoxy)-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESN#Cc1ccc(OCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C18H22N2O4S/c19-11-14-5-7-17(8-6-14)24-12-18(21)20(15-3-1-2-4-15)16-9-10-25(22,23)13-16/h5-8,15-16H,1-4,9-10,12-13H2/t16-/m1/s1
InChIKeyYWSBUSZZQIISQE-MRXNPFEDSA-N
XLogP1.90
TPSA87.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide (CID 9415712) is 2-(4-cyanophenoxy)-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide is N#Cc1ccc(OCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is YWSBUSZZQIISQE-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N2O4S/c19-11-14-5-7-17(8-6-14)24-12-18(21)20(15-3-1-2-4-15)16-9-10-25(22,23)13-16/h5-8,15-16H,1-4,9-10,12-13H2/t16-/m1/s1.
What are the key properties of 2-(4-cyanophenoxy)-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
2-(4-cyanophenoxy)-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 362.45 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 9415712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).