N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide

C18H22N2O4S2 — CID 112500923

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
SMILESCCN(C(=O)Cc1csc(COc2ccccc2)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H22N2O4S2/c1-2-20(15-8-9-26(22,23)13-15)18(21)10-14-12-25-17(19-14)11-24-16-6-4-3-5-7-16/h3-7,12,15H,2,8-11,13H2,1H3
InChIKeyHATHAVUSVBUYOO-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.30
Rot. Bonds7

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

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 112500923) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
PubChem CID112500923
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
SMILESCCN(C(=O)Cc1csc(COc2ccccc2)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H22N2O4S2/c1-2-20(15-8-9-26(22,23)13-15)18(21)10-14-12-25-17(19-14)11-24-16-6-4-3-5-7-16/h3-7,12,15H,2,8-11,13H2,1H3
InChIKeyHATHAVUSVBUYOO-UHFFFAOYSA-N
XLogP2.30
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 78811067
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 110648835
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 55495130
2-[(1,1-dioxothiolan-3-yl)-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
CID 60844849
N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-N-propylcyclopropanecarboxamide
CID 24714868
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1H-pyrrol-2-yl)acetamide
CID 110690842
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-phenylmethoxypropanamide
CID 60546311
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-pyridin-2-ylpropanamide
CID 110389197
N-butan-2-yl-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide
CID 42837469
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110413204
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-naphthalen-1-yloxyacetamide
CID 7851016
N'-(1,1-dioxothiolan-3-yl)-N'-ethyl-N-(pyridin-2-ylmethyl)propanediamide
CID 108947458

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide (CID 112500923) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide is CCN(C(=O)Cc1csc(COc2ccccc2)n1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is HATHAVUSVBUYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-2-20(15-8-9-26(22,23)13-15)18(21)10-14-12-25-17(19-14)11-24-16-6-4-3-5-7-16/h3-7,12,15H,2,8-11,13H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 394.52 g/mol, XLogP of 2.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 112500923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).