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

C13H17NO3S — CID 2963568

IUPACN-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
SMILESCN(C(=O)c1ccccc1)C1(C)CCS(=O)(=O)C1
InChIInChI=1S/C13H17NO3S/c1-13(8-9-18(16,17)10-13)14(2)12(15)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyZALNPEYMWWLORG-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.34
Rot. Bonds2

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

N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide (PubChem CID 2963568) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide.

Molecular Properties

Compound NameN-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
PubChem CID2963568
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC NameN-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
SMILESCN(C(=O)c1ccccc1)C1(C)CCS(=O)(=O)C1
InChIInChI=1S/C13H17NO3S/c1-13(8-9-18(16,17)10-13)14(2)12(15)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyZALNPEYMWWLORG-UHFFFAOYSA-N
XLogP1.34
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide?
The IUPAC name of N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide (CID 2963568) is N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide.
What is the SMILES notation for N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide?
The canonical SMILES for N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide is CN(C(=O)c1ccccc1)C1(C)CCS(=O)(=O)C1.
What is the InChIKey of N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide?
The InChIKey is ZALNPEYMWWLORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-13(8-9-18(16,17)10-13)14(2)12(15)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3.
What are the key properties of N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide?
N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide has a molecular weight of 267.35 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide is sourced from PubChem (CID 2963568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).