2-(2-methylprop-2-enoxy)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide

C16H17N3O3S — CID 50958894

IUPAC2-(2-methylprop-2-enoxy)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
SMILESC=C(C)COc1ccccc1C(=O)NCC(=O)Nc1nccs1
InChIInChI=1S/C16H17N3O3S/c1-11(2)10-22-13-6-4-3-5-12(13)15(21)18-9-14(20)19-16-17-7-8-23-16/h3-8H,1,9-10H2,2H3,(H,18,21)(H,17,19,20)
InChIKeyHIQOWCQBBJRKHI-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.47
Rot. Bonds7

About 2-(2-methylprop-2-enoxy)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide

2-(2-methylprop-2-enoxy)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide (PubChem CID 50958894) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoxy)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-(2-methylprop-2-enoxy)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
PubChem CID50958894
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name2-(2-methylprop-2-enoxy)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
SMILESC=C(C)COc1ccccc1C(=O)NCC(=O)Nc1nccs1
InChIInChI=1S/C16H17N3O3S/c1-11(2)10-22-13-6-4-3-5-12(13)15(21)18-9-14(20)19-16-17-7-8-23-16/h3-8H,1,9-10H2,2H3,(H,18,21)(H,17,19,20)
InChIKeyHIQOWCQBBJRKHI-UHFFFAOYSA-N
XLogP2.47
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methoxyanilino)-2-oxoethoxy]-N-(1,3-thiazol-2-yl)benzamide
CID 1301072
2-(2-cyanophenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 51128195
2-(2-aminophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 16772949
2-(2-chlorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 707255
2-(2-ethoxyanilino)-N-(1,3-thiazol-2-yl)acetamide
CID 66521973
3-(2-methylprop-2-enoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 6473256
N-ethyl-2-methoxy-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 814268
2-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-2-yl)benzamide
CID 110464702
2-(2-methylprop-2-enoxy)-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 46982086
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-3-carboxamide
CID 47377756
2-methoxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110443918
N-(4-anilinophenyl)-2-(2-methylprop-2-enoxy)benzamide
CID 17130408

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoxy)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
The IUPAC name of 2-(2-methylprop-2-enoxy)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide (CID 50958894) is 2-(2-methylprop-2-enoxy)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 2-(2-methylprop-2-enoxy)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
The canonical SMILES for 2-(2-methylprop-2-enoxy)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide is C=C(C)COc1ccccc1C(=O)NCC(=O)Nc1nccs1.
What is the InChIKey of 2-(2-methylprop-2-enoxy)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
The InChIKey is HIQOWCQBBJRKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-11(2)10-22-13-6-4-3-5-12(13)15(21)18-9-14(20)19-16-17-7-8-23-16/h3-8H,1,9-10H2,2H3,(H,18,21)(H,17,19,20).
What are the key properties of 2-(2-methylprop-2-enoxy)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
2-(2-methylprop-2-enoxy)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide has a molecular weight of 331.40 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoxy)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 50958894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).