2-(1,1-dioxothiolan-3-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide

C20H23NO4S — CID 55688953

IUPAC2-(1,1-dioxothiolan-3-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)NCc1ccc(COc2ccccc2)cc1
InChIInChI=1S/C20H23NO4S/c22-20(12-18-10-11-26(23,24)15-18)21-13-16-6-8-17(9-7-16)14-25-19-4-2-1-3-5-19/h1-9,18H,10-15H2,(H,21,22)
InChIKeyGBOGTCYAYZWQQF-UHFFFAOYSA-N
MW373.47 g/mol
LogP2.71
Rot. Bonds7

About 2-(1,1-dioxothiolan-3-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide

2-(1,1-dioxothiolan-3-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide (PubChem CID 55688953) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
PubChem CID55688953
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)NCc1ccc(COc2ccccc2)cc1
InChIInChI=1S/C20H23NO4S/c22-20(12-18-10-11-26(23,24)15-18)21-13-16-6-8-17(9-7-16)14-25-19-4-2-1-3-5-19/h1-9,18H,10-15H2,(H,21,22)
InChIKeyGBOGTCYAYZWQQF-UHFFFAOYSA-N
XLogP2.71
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dioxo-N-[[4-(phenoxymethyl)phenyl]methyl]thiolane-3-carboxamide
CID 55689181
N-benzyl-2-(1,1-dioxothian-3-yl)acetamide
CID 110850619
[2-(benzylamino)-2-oxoethyl] 2-[(3S)-1,1-dioxothiolan-3-yl]acetate
CID 8735319
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 8866837
N-[[4-(dimethylamino)phenyl]methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 9305719
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]acetamide
CID 8867807
2-(1,1-dioxothiolan-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 86907941
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 9184586
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 9184590
1,1-dioxo-N-[[3-(phenoxymethyl)phenyl]methyl]thiolane-3-carboxamide
CID 55903865
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7222598
phenyl 2-[(3S)-1,1-dioxothiolan-3-yl]acetate
CID 7092052

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide (CID 55688953) is 2-(1,1-dioxothiolan-3-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide is O=C(CC1CCS(=O)(=O)C1)NCc1ccc(COc2ccccc2)cc1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide?
The InChIKey is GBOGTCYAYZWQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S/c22-20(12-18-10-11-26(23,24)15-18)21-13-16-6-8-17(9-7-16)14-25-19-4-2-1-3-5-19/h1-9,18H,10-15H2,(H,21,22).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide?
2-(1,1-dioxothiolan-3-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide has a molecular weight of 373.47 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55688953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).