N-benzyl-3-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide

C21H24N2O3S — CID 56501884

IUPACN-benzyl-3-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
SMILESCCOCCC(=O)N(Cc1ccccc1)c1nc2ccc(OCC)cc2s1
InChIInChI=1S/C21H24N2O3S/c1-3-25-13-12-20(24)23(15-16-8-6-5-7-9-16)21-22-18-11-10-17(26-4-2)14-19(18)27-21/h5-11,14H,3-4,12-13,15H2,1-2H3
InChIKeyCBLGSWSPAHMYCV-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.65
Rot. Bonds9

About N-benzyl-3-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide

N-benzyl-3-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide (PubChem CID 56501884) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-benzyl-3-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
PubChem CID56501884
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-benzyl-3-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
SMILESCCOCCC(=O)N(Cc1ccccc1)c1nc2ccc(OCC)cc2s1
InChIInChI=1S/C21H24N2O3S/c1-3-25-13-12-20(24)23(15-16-8-6-5-7-9-16)21-22-18-11-10-17(26-4-2)14-19(18)27-21/h5-11,14H,3-4,12-13,15H2,1-2H3
InChIKeyCBLGSWSPAHMYCV-UHFFFAOYSA-N
XLogP4.65
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 7615810
N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)pent-4-enamide
CID 52866242
N-benzyl-4-(4-ethoxyphenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 2449845
3-(benzenesulfonyl)-N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 41110325
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 7615805
N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 41340207
N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 55531358
N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 41110331
N-benzyl-3,4,5-triethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41110314
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 52893645
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 40508156
N-benzyl-3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41110274

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of N-benzyl-3-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide (CID 56501884) is N-benzyl-3-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for N-benzyl-3-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for N-benzyl-3-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide is CCOCCC(=O)N(Cc1ccccc1)c1nc2ccc(OCC)cc2s1.
What is the InChIKey of N-benzyl-3-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is CBLGSWSPAHMYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-3-25-13-12-20(24)23(15-16-8-6-5-7-9-16)21-22-18-11-10-17(26-4-2)14-19(18)27-21/h5-11,14H,3-4,12-13,15H2,1-2H3.
What are the key properties of N-benzyl-3-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide?
N-benzyl-3-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 384.50 g/mol, XLogP of 4.65, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 56501884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).