N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide

C20H24N2O4S2 — CID 55495130

IUPACN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)N(C2CC2)C2CCS(=O)(=O)C2)cs1
InChIInChI=1S/C20H24N2O4S2/c1-2-26-18-6-4-3-5-17(18)20-21-14(12-27-20)11-19(23)22(15-7-8-15)16-9-10-28(24,25)13-16/h3-6,12,15-16H,2,7-11,13H2,1H3
InChIKeyOOPNETJGFIISAI-UHFFFAOYSA-N
MW420.56 g/mol
LogP2.93
Rot. Bonds7

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

N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 55495130) has the molecular formula C20H24N2O4S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID55495130
Molecular FormulaC20H24N2O4S2
Molecular Weight420.56 g/mol
Exact Mass420.12
IUPAC NameN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)N(C2CC2)C2CCS(=O)(=O)C2)cs1
InChIInChI=1S/C20H24N2O4S2/c1-2-26-18-6-4-3-5-17(18)20-21-14(12-27-20)11-19(23)22(15-7-8-15)16-9-10-28(24,25)13-16/h3-6,12,15-16H,2,7-11,13H2,1H3
InChIKeyOOPNETJGFIISAI-UHFFFAOYSA-N
XLogP2.93
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide with MolForge

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 51929410
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 112844938
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 78811067
[2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-ethoxybenzoate
CID 51610872
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 112500923
2-(2-cyanophenoxy)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 60602307
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutan-2-yl)acetamide
CID 43039088
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 55621355
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 36547223
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 36547224
ethyl 3-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propanoate
CID 103485086
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 16591401

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide (CID 55495130) is N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide is CCOc1ccccc1-c1nc(CC(=O)N(C2CC2)C2CCS(=O)(=O)C2)cs1.
What is the InChIKey of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is OOPNETJGFIISAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S2/c1-2-26-18-6-4-3-5-17(18)20-21-14(12-27-20)11-19(23)22(15-7-8-15)16-9-10-28(24,25)13-16/h3-6,12,15-16H,2,7-11,13H2,1H3.
What are the key properties of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 420.56 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 55495130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).