N-(1,1-dioxothiolan-3-yl)-2-[3-(3-methylbutoxy)phenoxy]acetamide

C17H25NO5S — CID 650708

IUPACN-(1,1-dioxothiolan-3-yl)-2-[3-(3-methylbutoxy)phenoxy]acetamide
SMILESCC(C)CCOc1cccc(OCC(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C17H25NO5S/c1-13(2)6-8-22-15-4-3-5-16(10-15)23-11-17(19)18-14-7-9-24(20,21)12-14/h3-5,10,13-14H,6-9,11-12H2,1-2H3,(H,18,19)
InChIKeyKDGHZXOHCWNIHM-UHFFFAOYSA-N
MW355.46 g/mol
LogP1.79
Rot. Bonds8

About N-(1,1-dioxothiolan-3-yl)-2-[3-(3-methylbutoxy)phenoxy]acetamide

N-(1,1-dioxothiolan-3-yl)-2-[3-(3-methylbutoxy)phenoxy]acetamide (PubChem CID 650708) has the molecular formula C17H25NO5S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[3-(3-methylbutoxy)phenoxy]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[3-(3-methylbutoxy)phenoxy]acetamide
PubChem CID650708
Molecular FormulaC17H25NO5S
Molecular Weight355.46 g/mol
Exact Mass355.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[3-(3-methylbutoxy)phenoxy]acetamide
SMILESCC(C)CCOc1cccc(OCC(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C17H25NO5S/c1-13(2)6-8-22-15-4-3-5-16(10-15)23-11-17(19)18-14-7-9-24(20,21)12-14/h3-5,10,13-14H,6-9,11-12H2,1-2H3,(H,18,19)
InChIKeyKDGHZXOHCWNIHM-UHFFFAOYSA-N
XLogP1.79
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-phenoxyacetamide
CID 2850487
N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenoxy)propanamide
CID 2935977
N-(1,1-dioxothiolan-3-yl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 3129057
N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenoxy)acetamide
CID 4649705
N-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-N-methyl-2-[3-(3-methyl-butoxy)-phenoxy]-acetamide
CID 649793
N-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-2-p-tolyloxy-acetamide
CID 3129054
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-phenoxyphenoxy)acetamide
CID 3129052
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-((2-oxo-2H-chromen-7-yl)oxy)acetamide
CID 4457624
[2-[(1,1-Dioxothiolan-3-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 4520259
[2-[(1,1-Dioxothiolan-3-yl)amino]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 16276856
2-(4-tert-butylphenoxy)-N-(1,1-dioxidotetrahydro-3-thienyl)acetamide
CID 2939594
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenoxyacetamide
CID 2792219

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[3-(3-methylbutoxy)phenoxy]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[3-(3-methylbutoxy)phenoxy]acetamide (CID 650708) is N-(1,1-dioxothiolan-3-yl)-2-[3-(3-methylbutoxy)phenoxy]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[3-(3-methylbutoxy)phenoxy]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[3-(3-methylbutoxy)phenoxy]acetamide is CC(C)CCOc1cccc(OCC(=O)NC2CCS(=O)(=O)C2)c1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[3-(3-methylbutoxy)phenoxy]acetamide?
The InChIKey is KDGHZXOHCWNIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5S/c1-13(2)6-8-22-15-4-3-5-16(10-15)23-11-17(19)18-14-7-9-24(20,21)12-14/h3-5,10,13-14H,6-9,11-12H2,1-2H3,(H,18,19).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[3-(3-methylbutoxy)phenoxy]acetamide?
N-(1,1-dioxothiolan-3-yl)-2-[3-(3-methylbutoxy)phenoxy]acetamide has a molecular weight of 355.46 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-[3-(3-methylbutoxy)phenoxy]acetamide is sourced from PubChem (CID 650708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).