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

C18H17N3O3S — CID 3241581

IUPACN-(3-acetamidophenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCn2c(=O)sc3ccccc32)c1
InChIInChI=1S/C18H17N3O3S/c1-12(22)19-13-5-4-6-14(11-13)20-17(23)9-10-21-15-7-2-3-8-16(15)25-18(21)24/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyQLEXSVIUAFRGLL-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.05
Rot. Bonds5

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

N-(3-acetamidophenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide (PubChem CID 3241581) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
PubChem CID3241581
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-(3-acetamidophenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCn2c(=O)sc3ccccc32)c1
InChIInChI=1S/C18H17N3O3S/c1-12(22)19-13-5-4-6-14(11-13)20-17(23)9-10-21-15-7-2-3-8-16(15)25-18(21)24/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyQLEXSVIUAFRGLL-UHFFFAOYSA-N
XLogP3.05
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-3-(3-(methylamino)-1-phenylpropyl)benzo[d]thiazol-2(3H)-one
CID 16067734
N-(2-methylphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 706207
N-[2-(methylthio)phenyl]-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamide
CID 3236632
N-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide
CID 4879989
N-{2-[butyl(methyl)amino]ethyl}-2-[2-oxo-1,3-benzothiazol-3(2H)-yl]acetamide
CID 5307267
3-[2-(4-Ethylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one
CID 5309485
N-cyclohexyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 767717
N-(sec-butyl)-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide
CID 16193153
2-(2-Oxo-benzothiazol-3-yl)-N-phenyl-acetamide
CID 705122
N-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 5310387
N-[2-(1-cyclohexenyl)ethyl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 767720
N-benzyl-3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamide
CID 767741

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide (CID 3241581) is N-(3-acetamidophenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide is CC(=O)Nc1cccc(NC(=O)CCn2c(=O)sc3ccccc32)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The InChIKey is QLEXSVIUAFRGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-12(22)19-13-5-4-6-14(11-13)20-17(23)9-10-21-15-7-2-3-8-16(15)25-18(21)24/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-(3-acetamidophenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
N-(3-acetamidophenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide has a molecular weight of 355.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide is sourced from PubChem (CID 3241581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).