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

C16H18N2O4S — CID 60602307

IUPAC2-(2-cyanophenoxy)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESN#Cc1ccccc1OCC(=O)N(C1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H18N2O4S/c17-9-12-3-1-2-4-15(12)22-10-16(19)18(13-5-6-13)14-7-8-23(20,21)11-14/h1-4,13-14H,5-8,10-11H2
InChIKeyCBMJZQIHKCONFP-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.12
Rot. Bonds5

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

2-(2-cyanophenoxy)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 60602307) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID60602307
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name2-(2-cyanophenoxy)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESN#Cc1ccccc1OCC(=O)N(C1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H18N2O4S/c17-9-12-3-1-2-4-15(12)22-10-16(19)18(13-5-6-13)14-7-8-23(20,21)11-14/h1-4,13-14H,5-8,10-11H2
InChIKeyCBMJZQIHKCONFP-UHFFFAOYSA-N
XLogP1.12
TPSA87.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyanophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 43243362
[2-[[(2S)-butan-2-yl]-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9276171
2-(4-cyanophenoxy)-N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2576465
N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7701312
[2-[cyclopropyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-cyanobenzoate
CID 7705308
2-(2-chloro-4-cyanophenoxy)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18203549
[2-[cyclopropyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 7702527
[2-[cyclopropyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7705562
2-[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]-N-phenylbenzamide
CID 24562064
3-[[2-(2-cyanophenoxy)acetyl]-cyclopropylamino]propanoic acid
CID 60844199
methyl 4-[2-[cyclopropyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethoxy]benzoate
CID 9417003
[2-[cyclopropyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-phenylacetate
CID 7697884

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)acetamide (CID 60602307) is 2-(2-cyanophenoxy)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)acetamide is N#Cc1ccccc1OCC(=O)N(C1CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is CBMJZQIHKCONFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c17-9-12-3-1-2-4-15(12)22-10-16(19)18(13-5-6-13)14-7-8-23(20,21)11-14/h1-4,13-14H,5-8,10-11H2.
What are the key properties of 2-(2-cyanophenoxy)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)acetamide?
2-(2-cyanophenoxy)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 334.40 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 60602307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).