4-(methoxymethyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide

C14H19NO4S — CID 43020389

IUPAC4-(methoxymethyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
SMILESCOCc1ccc(C(=O)NC2(C)CCS(=O)(=O)C2)cc1
InChIInChI=1S/C14H19NO4S/c1-14(7-8-20(17,18)10-14)15-13(16)12-5-3-11(4-6-12)9-19-2/h3-6H,7-10H2,1-2H3,(H,15,16)
InChIKeyKGOSYQNSDAPTGT-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.14
Rot. Bonds4

About 4-(methoxymethyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide

4-(methoxymethyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide (PubChem CID 43020389) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
PubChem CID43020389
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name4-(methoxymethyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
SMILESCOCc1ccc(C(=O)NC2(C)CCS(=O)(=O)C2)cc1
InChIInChI=1S/C14H19NO4S/c1-14(7-8-20(17,18)10-14)15-13(16)12-5-3-11(4-6-12)9-19-2/h3-6H,7-10H2,1-2H3,(H,15,16)
InChIKeyKGOSYQNSDAPTGT-UHFFFAOYSA-N
XLogP1.14
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide?
The IUPAC name of 4-(methoxymethyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide (CID 43020389) is 4-(methoxymethyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide.
What is the SMILES notation for 4-(methoxymethyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide?
The canonical SMILES for 4-(methoxymethyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide is COCc1ccc(C(=O)NC2(C)CCS(=O)(=O)C2)cc1.
What is the InChIKey of 4-(methoxymethyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide?
The InChIKey is KGOSYQNSDAPTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-14(7-8-20(17,18)10-14)15-13(16)12-5-3-11(4-6-12)9-19-2/h3-6H,7-10H2,1-2H3,(H,15,16).
What are the key properties of 4-(methoxymethyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide?
4-(methoxymethyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide has a molecular weight of 297.38 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide is sourced from PubChem (CID 43020389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).