N-(2-ethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide

C18H18N2O2S — CID 767780

IUPACN-(2-ethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILESCCc1ccccc1NC(=O)CCn1c(=O)sc2ccccc21
InChIInChI=1S/C18H18N2O2S/c1-2-13-7-3-4-8-14(13)19-17(21)11-12-20-15-9-5-6-10-16(15)23-18(20)22/h3-10H,2,11-12H2,1H3,(H,19,21)
InChIKeyDXSZENFBRGUBRK-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.65
Rot. Bonds5

About N-(2-ethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide

N-(2-ethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide (PubChem CID 767780) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
PubChem CID767780
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-(2-ethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILESCCc1ccccc1NC(=O)CCn1c(=O)sc2ccccc21
InChIInChI=1S/C18H18N2O2S/c1-2-13-7-3-4-8-14(13)19-17(21)11-12-20-15-9-5-6-10-16(15)23-18(20)22/h3-10H,2,11-12H2,1H3,(H,19,21)
InChIKeyDXSZENFBRGUBRK-UHFFFAOYSA-N
XLogP3.65
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 3647299
N-(4-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 767797
N-(3,4-dimethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 767815
N-(2-ethylphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39763926
N-(3,4-difluorophenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 767803
3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenoxyphenyl)propanamide
CID 7455295
N-(2-ethylphenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324349
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 55642616
propyl 3-(2-oxo-1,3-benzothiazol-3-yl)propanoate
CID 5073803
N-(2-methoxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 1081529
N-(3,3-diphenylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 7455270
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 7694168

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The IUPAC name of N-(2-ethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide (CID 767780) is N-(2-ethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The canonical SMILES for N-(2-ethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide is CCc1ccccc1NC(=O)CCn1c(=O)sc2ccccc21.
What is the InChIKey of N-(2-ethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The InChIKey is DXSZENFBRGUBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-2-13-7-3-4-8-14(13)19-17(21)11-12-20-15-9-5-6-10-16(15)23-18(20)22/h3-10H,2,11-12H2,1H3,(H,19,21).
What are the key properties of N-(2-ethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
N-(2-ethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide has a molecular weight of 326.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide is sourced from PubChem (CID 767780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).