N-(4-acetylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide

C18H16N2O3S — CID 3647299

IUPACN-(4-acetylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCn2c(=O)sc3ccccc32)cc1
InChIInChI=1S/C18H16N2O3S/c1-12(21)13-6-8-14(9-7-13)19-17(22)10-11-20-15-4-2-3-5-16(15)24-18(20)23/h2-9H,10-11H2,1H3,(H,19,22)
InChIKeyFTXLHZXSCQIQBS-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.29
Rot. Bonds5

About N-(4-acetylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide

N-(4-acetylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide (PubChem CID 3647299) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
PubChem CID3647299
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC NameN-(4-acetylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCn2c(=O)sc3ccccc32)cc1
InChIInChI=1S/C18H16N2O3S/c1-12(21)13-6-8-14(9-7-13)19-17(22)10-11-20-15-4-2-3-5-16(15)24-18(20)23/h2-9H,10-11H2,1H3,(H,19,22)
InChIKeyFTXLHZXSCQIQBS-UHFFFAOYSA-N
XLogP3.29
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 767797
3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenoxyphenyl)propanamide
CID 7455295
N-(3,4-dimethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 767815
N-(3,4-difluorophenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 767803
N-(2-ethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 767780
methyl 4-[[2-(2-oxo-1,3-benzothiazol-3-yl)acetyl]amino]benzoate
CID 22423105
N-(4-acetylphenyl)-2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 5308763
2-(2-oxo-1,3-benzothiazol-3-yl)-N-phenylacetamide
CID 705122
N-[5-[3-(4-methylanilino)-3-oxopropyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 17308314
N-(4-acetylphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689025
N-(3,3-diphenylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 7455270
N-(4-acetylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097698

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The IUPAC name of N-(4-acetylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide (CID 3647299) is N-(4-acetylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide is CC(=O)c1ccc(NC(=O)CCn2c(=O)sc3ccccc32)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The InChIKey is FTXLHZXSCQIQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-12(21)13-6-8-14(9-7-13)19-17(22)10-11-20-15-4-2-3-5-16(15)24-18(20)23/h2-9H,10-11H2,1H3,(H,19,22).
What are the key properties of N-(4-acetylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
N-(4-acetylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide has a molecular weight of 340.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide is sourced from PubChem (CID 3647299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).