2-ethoxy-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide

C18H18N2O3S — CID 46249436

IUPAC2-ethoxy-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc2c(c1)sc(=O)n2CC
InChIInChI=1S/C18H18N2O3S/c1-3-20-14-10-9-12(11-16(14)24-18(20)22)19-17(21)13-7-5-6-8-15(13)23-4-2/h5-11H,3-4H2,1-2H3,(H,19,21)
InChIKeyDPNOHTQPRGBXAX-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.73
Rot. Bonds5

About 2-ethoxy-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide

2-ethoxy-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide (PubChem CID 46249436) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-ethoxy-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name2-ethoxy-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
PubChem CID46249436
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-ethoxy-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc2c(c1)sc(=O)n2CC
InChIInChI=1S/C18H18N2O3S/c1-3-20-14-10-9-12(11-16(14)24-18(20)22)19-17(21)13-7-5-6-8-15(13)23-4-2/h5-11H,3-4H2,1-2H3,(H,19,21)
InChIKeyDPNOHTQPRGBXAX-UHFFFAOYSA-N
XLogP3.73
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(2-methylphenoxy)acetamide
CID 22577350
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
(2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(2-propan-2-ylphenoxy)propanamide
CID 100544357
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide
CID 100547426
(2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-1-yloxypropanamide
CID 100543359
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 22577353
(2S)-2-(2-chlorophenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)butanamide
CID 100544446
methyl 3-chloro-6-[(2-ethoxybenzoyl)amino]-1-benzothiophene-2-carboxylate
CID 4867278
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenyl)acetamide
CID 46352529
2-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 836714
(2R)-2-(2,3-dimethylphenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
CID 100544384
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-phenylsulfanylpropanamide
CID 133203750

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 2-ethoxy-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide (CID 46249436) is 2-ethoxy-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 2-ethoxy-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 2-ethoxy-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide is CCOc1ccccc1C(=O)Nc1ccc2c(c1)sc(=O)n2CC.
What is the InChIKey of 2-ethoxy-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is DPNOHTQPRGBXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-3-20-14-10-9-12(11-16(14)24-18(20)22)19-17(21)13-7-5-6-8-15(13)23-4-2/h5-11H,3-4H2,1-2H3,(H,19,21).
What are the key properties of 2-ethoxy-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide?
2-ethoxy-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 342.42 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 46249436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).