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

C17H16N2O3S — CID 767797

IUPACN-(4-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILESCOc1ccc(NC(=O)CCn2c(=O)sc3ccccc32)cc1
InChIInChI=1S/C17H16N2O3S/c1-22-13-8-6-12(7-9-13)18-16(20)10-11-19-14-4-2-3-5-15(14)23-17(19)21/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyBRANSOXVLUPNNA-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.10
Rot. Bonds5

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

N-(4-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide (PubChem CID 767797) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
PubChem CID767797
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-(4-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILESCOc1ccc(NC(=O)CCn2c(=O)sc3ccccc32)cc1
InChIInChI=1S/C17H16N2O3S/c1-22-13-8-6-12(7-9-13)18-16(20)10-11-19-14-4-2-3-5-15(14)23-17(19)21/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyBRANSOXVLUPNNA-UHFFFAOYSA-N
XLogP3.10
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenoxyphenyl)propanamide
CID 7455295
N-(4-acetylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 3647299
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 6484292
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
3-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzothiazol-3-yl]-N-(4-methoxyphenyl)propanamide
CID 53081184
methyl 4-[[2-(2-oxo-1,3-benzothiazol-3-yl)acetyl]amino]benzoate
CID 22423105
N-(2-ethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
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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
3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 6484074
N-(3-methoxyphenyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The IUPAC name of N-(4-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide (CID 767797) is N-(4-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide is COc1ccc(NC(=O)CCn2c(=O)sc3ccccc32)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The InChIKey is BRANSOXVLUPNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-22-13-8-6-12(7-9-13)18-16(20)10-11-19-14-4-2-3-5-15(14)23-17(19)21/h2-9H,10-11H2,1H3,(H,18,20).
What are the key properties of N-(4-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
N-(4-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide has a molecular weight of 328.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide is sourced from PubChem (CID 767797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).