2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide

C17H21N3O3S — CID 2666587

IUPAC2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
SMILESCCOc1ccccc1C(=O)N[C@H](C(=O)Nc1nccs1)C(C)C
InChIInChI=1S/C17H21N3O3S/c1-4-23-13-8-6-5-7-12(13)15(21)19-14(11(2)3)16(22)20-17-18-9-10-24-17/h5-11,14H,4H2,1-3H3,(H,19,21)(H,18,20,22)/t14-/m0/s1
InChIKeyJUYXMZFBKZWGNH-AWEZNQCLSA-N
MW347.44 g/mol
LogP2.93
Rot. Bonds7

About 2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide

2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide (PubChem CID 2666587) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
PubChem CID2666587
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
SMILESCCOc1ccccc1C(=O)N[C@H](C(=O)Nc1nccs1)C(C)C
InChIInChI=1S/C17H21N3O3S/c1-4-23-13-8-6-5-7-12(13)15(21)19-14(11(2)3)16(22)20-17-18-9-10-24-17/h5-11,14H,4H2,1-3H3,(H,19,21)(H,18,20,22)/t14-/m0/s1
InChIKeyJUYXMZFBKZWGNH-AWEZNQCLSA-N
XLogP2.93
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 721308
2-methoxy-4-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide
CID 669871
3-ethoxy-N-(2-thiazolyl)benzamide
CID 792393
4-(3,3-dimethylbutyrylamino)-2-methoxy-N-thiazol-2-ylbenzamide
CID 11473488
N-[(5S)-5-[[(2R,3S)-3-[formyl(hydroxy)amino]-2-(2-methylpropyl)hexanoyl]amino]-6-oxo-6-(1,3-thiazol-2-ylamino)hexyl]-3-methoxybenzamide
CID 44531136
2-(Acetyloxy)-N-(5-chloro-2-thiazolyl)benzamide
CID 53309690
2-ethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 652520
4-Ethoxy-N-(1,3-thiazol-2-YL)benzamide
CID 803176
N-{[(Furan-2-ylmethyl)-carbamoyl]-methyl}-N-(4-methoxy-benzyl)-N'-thiazol-2-yl-succinamide
CID 651341
N-[(4-Fluoro-phenyl)-(2-methoxy-ethylcarbamoyl)-methyl]-N-furan-2-ylmethyl-N'-thiazol-2-yl-succinamide
CID 656031
3-Methoxy-N-[1-(thiazol-2-ylcarbamoylmethyl)-piperidin-4-yl]-benzamide
CID 3220977
5-(2-Methoxy-benzoylamino)-thiazole-4-carboxylic acid thiazol-2-ylamide
CID 44388562

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide (CID 2666587) is 2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide is CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1nccs1)C(C)C.
What is the InChIKey of 2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide?
The InChIKey is JUYXMZFBKZWGNH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-4-23-13-8-6-5-7-12(13)15(21)19-14(11(2)3)16(22)20-17-18-9-10-24-17/h5-11,14H,4H2,1-3H3,(H,19,21)(H,18,20,22)/t14-/m0/s1.
What are the key properties of 2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide?
2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide has a molecular weight of 347.44 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide is sourced from PubChem (CID 2666587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).