2-ethoxy-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide

C15H17N3O3S — CID 46388441

IUPAC2-ethoxy-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NCc1cscn1
InChIInChI=1S/C15H17N3O3S/c1-2-21-13-6-4-3-5-12(13)15(20)17-8-14(19)16-7-11-9-22-10-18-11/h3-6,9-10H,2,7-8H2,1H3,(H,16,19)(H,17,20)
InChIKeyOBKYWENUNGZOEE-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.59
Rot. Bonds7

About 2-ethoxy-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide

2-ethoxy-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide (PubChem CID 46388441) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-ethoxy-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide
PubChem CID46388441
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name2-ethoxy-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NCc1cscn1
InChIInChI=1S/C15H17N3O3S/c1-2-21-13-6-4-3-5-12(13)15(20)17-8-14(19)16-7-11-9-22-10-18-11/h3-6,9-10H,2,7-8H2,1H3,(H,16,19)(H,17,20)
InChIKeyOBKYWENUNGZOEE-UHFFFAOYSA-N
XLogP1.59
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346216
2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
CID 43387480
N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 47058897
2-(2-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 49346575
2-ethoxy-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 24551423
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-2-ethoxybenzamide
CID 7601514
N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 46461439
2-amino-6-ethoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 81420120
4-fluoro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide
CID 46388447
N-[[2-(propoxymethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87006475
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 55846935

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide (CID 46388441) is 2-ethoxy-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide is CCOc1ccccc1C(=O)NCC(=O)NCc1cscn1.
What is the InChIKey of 2-ethoxy-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide?
The InChIKey is OBKYWENUNGZOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-2-21-13-6-4-3-5-12(13)15(20)17-8-14(19)16-7-11-9-22-10-18-11/h3-6,9-10H,2,7-8H2,1H3,(H,16,19)(H,17,20).
What are the key properties of 2-ethoxy-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide?
2-ethoxy-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide has a molecular weight of 319.39 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide is sourced from PubChem (CID 46388441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).