N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide

C17H25NO4S — CID 2941035

IUPACN-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)N(C)C2(C)CCS(=O)(=O)C2)cc1
InChIInChI=1S/C17H25NO4S/c1-13(2)14-5-7-15(8-6-14)22-11-16(19)18(4)17(3)9-10-23(20,21)12-17/h5-8,13H,9-12H2,1-4H3
InChIKeyVWFCJUNIEIDREO-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.22
Rot. Bonds5

About N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide

N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 2941035) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID2941035
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC NameN-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)N(C)C2(C)CCS(=O)(=O)C2)cc1
InChIInChI=1S/C17H25NO4S/c1-13(2)14-5-7-15(8-6-14)22-11-16(19)18(4)17(3)9-10-23(20,21)12-17/h5-8,13H,9-12H2,1-4H3
InChIKeyVWFCJUNIEIDREO-UHFFFAOYSA-N
XLogP2.22
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide (CID 2941035) is N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)N(C)C2(C)CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is VWFCJUNIEIDREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4S/c1-13(2)14-5-7-15(8-6-14)22-11-16(19)18(4)17(3)9-10-23(20,21)12-17/h5-8,13H,9-12H2,1-4H3.
What are the key properties of N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide?
N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 339.46 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 2941035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).