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

C18H18N2O2S — CID 767815

IUPACN-(3,4-dimethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILESCc1ccc(NC(=O)CCn2c(=O)sc3ccccc32)cc1C
InChIInChI=1S/C18H18N2O2S/c1-12-7-8-14(11-13(12)2)19-17(21)9-10-20-15-5-3-4-6-16(15)23-18(20)22/h3-8,11H,9-10H2,1-2H3,(H,19,21)
InChIKeyAVEVLKOBWLXWAF-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.71
Rot. Bonds4

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

N-(3,4-dimethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide (PubChem CID 767815) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
PubChem CID767815
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-(3,4-dimethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILESCc1ccc(NC(=O)CCn2c(=O)sc3ccccc32)cc1C
InChIInChI=1S/C18H18N2O2S/c1-12-7-8-14(11-13(12)2)19-17(21)9-10-20-15-5-3-4-6-16(15)23-18(20)22/h3-8,11H,9-10H2,1-2H3,(H,19,21)
InChIKeyAVEVLKOBWLXWAF-UHFFFAOYSA-N
XLogP3.71
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 767803
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
3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenoxyphenyl)propanamide
CID 7455295
N-(2-ethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 767780
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-(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
2-(2-oxo-1,3-benzothiazol-3-yl)-N-phenylacetamide
CID 705122
methyl 4-[[2-(2-oxo-1,3-benzothiazol-3-yl)acetyl]amino]benzoate
CID 22423105
N-(3,4-difluorophenyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680300
3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 6484074

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide (CID 767815) is N-(3,4-dimethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide is Cc1ccc(NC(=O)CCn2c(=O)sc3ccccc32)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The InChIKey is AVEVLKOBWLXWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-12-7-8-14(11-13(12)2)19-17(21)9-10-20-15-5-3-4-6-16(15)23-18(20)22/h3-8,11H,9-10H2,1-2H3,(H,19,21).
What are the key properties of N-(3,4-dimethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
N-(3,4-dimethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide has a molecular weight of 326.42 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide is sourced from PubChem (CID 767815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).