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

C18H27NO5S — CID 649793

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(3-methylbutoxy)phenoxy]acetamide
SMILESCC(C)CCOc1cccc(OCC(=O)N(C)C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C18H27NO5S/c1-14(2)7-9-23-16-5-4-6-17(11-16)24-12-18(20)19(3)15-8-10-25(21,22)13-15/h4-6,11,14-15H,7-10,12-13H2,1-3H3
InChIKeyVFBDQYREIOYJSJ-UHFFFAOYSA-N
MW369.48 g/mol
LogP2.14
Rot. Bonds8

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

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(3-methylbutoxy)phenoxy]acetamide (PubChem CID 649793) has the molecular formula C18H27NO5S and a molecular weight of 369.48 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(3-methylbutoxy)phenoxy]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(3-methylbutoxy)phenoxy]acetamide
PubChem CID649793
Molecular FormulaC18H27NO5S
Molecular Weight369.48 g/mol
Exact Mass369.16
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(3-methylbutoxy)phenoxy]acetamide
SMILESCC(C)CCOc1cccc(OCC(=O)N(C)C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C18H27NO5S/c1-14(2)7-9-23-16-5-4-6-17(11-16)24-12-18(20)19(3)15-8-10-25(21,22)13-15/h4-6,11,14-15H,7-10,12-13H2,1-3H3
InChIKeyVFBDQYREIOYJSJ-UHFFFAOYSA-N
XLogP2.14
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(3-methylbutoxy)phenoxy]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(3-methylbutoxy)phenoxy]acetamide (CID 649793) is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(3-methylbutoxy)phenoxy]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(3-methylbutoxy)phenoxy]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(3-methylbutoxy)phenoxy]acetamide is CC(C)CCOc1cccc(OCC(=O)N(C)C2CCS(=O)(=O)C2)c1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(3-methylbutoxy)phenoxy]acetamide?
The InChIKey is VFBDQYREIOYJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO5S/c1-14(2)7-9-23-16-5-4-6-17(11-16)24-12-18(20)19(3)15-8-10-25(21,22)13-15/h4-6,11,14-15H,7-10,12-13H2,1-3H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(3-methylbutoxy)phenoxy]acetamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(3-methylbutoxy)phenoxy]acetamide has a molecular weight of 369.48 g/mol, XLogP of 2.14, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(3-methylbutoxy)phenoxy]acetamide is sourced from PubChem (CID 649793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).