2-(4-cyanophenoxy)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide

C19H24N2O4S — CID 4883501

IUPAC2-(4-cyanophenoxy)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESN#Cc1ccc(OCC(=O)N(C2CCCCC2)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C19H24N2O4S/c20-12-15-6-8-18(9-7-15)25-13-19(22)21(16-4-2-1-3-5-16)17-10-11-26(23,24)14-17/h6-9,16-17H,1-5,10-11,13-14H2
InChIKeyNINHFCQAFOXJOL-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.29
Rot. Bonds5

About 2-(4-cyanophenoxy)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide

2-(4-cyanophenoxy)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 4883501) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID4883501
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name2-(4-cyanophenoxy)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESN#Cc1ccc(OCC(=O)N(C2CCCCC2)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C19H24N2O4S/c20-12-15-6-8-18(9-7-15)25-13-19(22)21(16-4-2-1-3-5-16)17-10-11-26(23,24)14-17/h6-9,16-17H,1-5,10-11,13-14H2
InChIKeyNINHFCQAFOXJOL-UHFFFAOYSA-N
XLogP2.29
TPSA87.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 3129057
2-(3-cyanophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 25163860
(2S,4S)-1-((R)-3-(4-(benzyloxy)benzylsulfonyl)-2-amino-3-methylbutanoyl)-4-fluoropyrrolidine-2-carbonitrile
CID 10162433
2-(4-tert-butylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 2941615
N-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-2-p-tolyloxy-acetamide
CID 3129054
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-ethylphenoxy)-N-[4-(propan-2-yl)benzyl]acetamide
CID 4370898
N-benzyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-ethylphenoxy)acetamide
CID 4551957
[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
CID 6053808
[2-[(1,1-Dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 4853064
N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenoxy)-N-methylacetamide
CID 2729771
N-benzyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-ethylphenoxy)propanamide
CID 3789363
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(3-fluorobenzyl)-2-(2-methylphenoxy)acetamide
CID 16438281

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide (CID 4883501) is 2-(4-cyanophenoxy)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide is N#Cc1ccc(OCC(=O)N(C2CCCCC2)C2CCS(=O)(=O)C2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is NINHFCQAFOXJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c20-12-15-6-8-18(9-7-15)25-13-19(22)21(16-4-2-1-3-5-16)17-10-11-26(23,24)14-17/h6-9,16-17H,1-5,10-11,13-14H2.
What are the key properties of 2-(4-cyanophenoxy)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide?
2-(4-cyanophenoxy)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 376.48 g/mol, XLogP of 2.29, 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-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 4883501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).