N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-(methoxymethyl)benzamide

C14H19NO4S — CID 94021918

IUPACN-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-(methoxymethyl)benzamide
SMILESCOCc1ccccc1C(=O)NC[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H19NO4S/c1-19-9-12-4-2-3-5-13(12)14(16)15-8-11-6-7-20(17,18)10-11/h2-5,11H,6-10H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeySWPDRPZJXQYIGE-NSHDSACASA-N
MW297.38 g/mol
LogP1.00
Rot. Bonds5

About N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-(methoxymethyl)benzamide

N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-(methoxymethyl)benzamide (PubChem CID 94021918) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-(methoxymethyl)benzamide
PubChem CID94021918
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC NameN-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-(methoxymethyl)benzamide
SMILESCOCc1ccccc1C(=O)NC[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H19NO4S/c1-19-9-12-4-2-3-5-13(12)14(16)15-8-11-6-7-20(17,18)10-11/h2-5,11H,6-10H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeySWPDRPZJXQYIGE-NSHDSACASA-N
XLogP1.00
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylbenzamide
CID 77085411
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylphenyl)acetamide
CID 47156970
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(methoxymethyl)benzamide
CID 95238690
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 94006282
2-(3-aminoprop-1-ynyl)-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 62131826
4-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-2-methoxybenzamide
CID 78987536
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-5-fluoro-2-methoxybenzamide
CID 94020752
N,2-bis(methoxymethyl)benzamide
CID 91153220
N-[(1,1-dioxothiolan-3-yl)methyl]-3-hydroxybenzamide
CID 62131621
2-(3-bromophenoxy)-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 60507504
N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(methoxymethyl)benzamide
CID 52844192
N-[(1,1-dioxothiolan-3-yl)methyl]-2-methyl-5-sulfanylbenzamide
CID 107028005

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-(methoxymethyl)benzamide?
The IUPAC name of N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-(methoxymethyl)benzamide (CID 94021918) is N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-(methoxymethyl)benzamide.
What is the SMILES notation for N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-(methoxymethyl)benzamide?
The canonical SMILES for N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-(methoxymethyl)benzamide is COCc1ccccc1C(=O)NC[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-(methoxymethyl)benzamide?
The InChIKey is SWPDRPZJXQYIGE-NSHDSACASA-N. The full InChI is InChI=1S/C14H19NO4S/c1-19-9-12-4-2-3-5-13(12)14(16)15-8-11-6-7-20(17,18)10-11/h2-5,11H,6-10H2,1H3,(H,15,16)/t11-/m0/s1.
What are the key properties of N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-(methoxymethyl)benzamide?
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-(methoxymethyl)benzamide has a molecular weight of 297.38 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-(methoxymethyl)benzamide is sourced from PubChem (CID 94021918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).