N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3-phenoxypropanamide

C24H22N2O2S — CID 8670797

IUPACN-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
SMILESCc1cccc2sc(N(Cc3ccccc3)C(=O)CCOc3ccccc3)nc12
InChIInChI=1S/C24H22N2O2S/c1-18-9-8-14-21-23(18)25-24(29-21)26(17-19-10-4-2-5-11-19)22(27)15-16-28-20-12-6-3-7-13-20/h2-14H,15-17H2,1H3
InChIKeyKUMJHPGSBPQJIR-UHFFFAOYSA-N
MW402.52 g/mol
LogP5.61
Rot. Bonds7

About N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3-phenoxypropanamide

N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3-phenoxypropanamide (PubChem CID 8670797) has the molecular formula C24H22N2O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
PubChem CID8670797
Molecular FormulaC24H22N2O2S
Molecular Weight402.52 g/mol
Exact Mass402.14
IUPAC NameN-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
SMILESCc1cccc2sc(N(Cc3ccccc3)C(=O)CCOc3ccccc3)nc12
InChIInChI=1S/C24H22N2O2S/c1-18-9-8-14-21-23(18)25-24(29-21)26(17-19-10-4-2-5-11-19)22(27)15-16-28-20-12-6-3-7-13-20/h2-14H,15-17H2,1H3
InChIKeyKUMJHPGSBPQJIR-UHFFFAOYSA-N
XLogP5.61
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-(4-methoxyphenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)butanamide
CID 2576297
N-[2-(diethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 7511487
dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]ethyl]azanium
CID 7208127
N-benzyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 41115698
3-phenoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 16939256
N-(4-methoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 40508231
2-[[2-[benzyl-(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
CID 18088502
N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 24505525
N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-methoxypropanamide
CID 86883018
3-phenoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 16939124
ethyl 2-[2-[benzyl-(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylacetate
CID 8594640
N-[2-(dimethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 7208199

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3-phenoxypropanamide?
The IUPAC name of N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3-phenoxypropanamide (CID 8670797) is N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3-phenoxypropanamide.
What is the SMILES notation for N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3-phenoxypropanamide?
The canonical SMILES for N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3-phenoxypropanamide is Cc1cccc2sc(N(Cc3ccccc3)C(=O)CCOc3ccccc3)nc12.
What is the InChIKey of N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3-phenoxypropanamide?
The InChIKey is KUMJHPGSBPQJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2S/c1-18-9-8-14-21-23(18)25-24(29-21)26(17-19-10-4-2-5-11-19)22(27)15-16-28-20-12-6-3-7-13-20/h2-14H,15-17H2,1H3.
What are the key properties of N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3-phenoxypropanamide?
N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3-phenoxypropanamide has a molecular weight of 402.52 g/mol, XLogP of 5.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3-phenoxypropanamide is sourced from PubChem (CID 8670797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).