N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-phenylphenoxy)acetamide

C19H21NO4S — CID 4885216

IUPACN-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-phenylphenoxy)acetamide
SMILESCC1(NC(=O)COc2ccccc2-c2ccccc2)CCS(=O)(=O)C1
InChIInChI=1S/C19H21NO4S/c1-19(11-12-25(22,23)14-19)20-18(21)13-24-17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,20,21)
InChIKeyPVMHGAWGUHOLNX-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.43
Rot. Bonds5

About N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-phenylphenoxy)acetamide

N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-phenylphenoxy)acetamide (PubChem CID 4885216) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-phenylphenoxy)acetamide
PubChem CID4885216
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC NameN-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-phenylphenoxy)acetamide
SMILESCC1(NC(=O)COc2ccccc2-c2ccccc2)CCS(=O)(=O)C1
InChIInChI=1S/C19H21NO4S/c1-19(11-12-25(22,23)14-19)20-18(21)13-24-17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,20,21)
InChIKeyPVMHGAWGUHOLNX-UHFFFAOYSA-N
XLogP2.43
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-phenylphenoxy)acetamide?
The IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-phenylphenoxy)acetamide (CID 4885216) is N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-phenylphenoxy)acetamide.
What is the SMILES notation for N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-phenylphenoxy)acetamide?
The canonical SMILES for N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-phenylphenoxy)acetamide is CC1(NC(=O)COc2ccccc2-c2ccccc2)CCS(=O)(=O)C1.
What is the InChIKey of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-phenylphenoxy)acetamide?
The InChIKey is PVMHGAWGUHOLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-19(11-12-25(22,23)14-19)20-18(21)13-24-17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,20,21).
What are the key properties of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-phenylphenoxy)acetamide?
N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-phenylphenoxy)acetamide has a molecular weight of 359.45 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-phenylphenoxy)acetamide is sourced from PubChem (CID 4885216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).