N-benzyl-3,4,5-triethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide

C29H32N2O5S — CID 41110314

IUPACN-benzyl-3,4,5-triethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3cc(OCC)c(OCC)c(OCC)c3)sc2c1
InChIInChI=1S/C29H32N2O5S/c1-5-33-22-14-15-23-26(18-22)37-29(30-23)31(19-20-12-10-9-11-13-20)28(32)21-16-24(34-6-2)27(36-8-4)25(17-21)35-7-3/h9-18H,5-8,19H2,1-4H3
InChIKeyQDSDZZXLEWDUKM-UHFFFAOYSA-N
MW520.65 g/mol
LogP6.74
Rot. Bonds12

About N-benzyl-3,4,5-triethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide

N-benzyl-3,4,5-triethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 41110314) has the molecular formula C29H32N2O5S and a molecular weight of 520.65 g/mol. Its IUPAC name is N-benzyl-3,4,5-triethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-3,4,5-triethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID41110314
Molecular FormulaC29H32N2O5S
Molecular Weight520.65 g/mol
Exact Mass520.20
IUPAC NameN-benzyl-3,4,5-triethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3cc(OCC)c(OCC)c(OCC)c3)sc2c1
InChIInChI=1S/C29H32N2O5S/c1-5-33-22-14-15-23-26(18-22)37-29(30-23)31(19-20-12-10-9-11-13-20)28(32)21-16-24(34-6-2)27(36-8-4)25(17-21)35-7-3/h9-18H,5-8,19H2,1-4H3
InChIKeyQDSDZZXLEWDUKM-UHFFFAOYSA-N
XLogP6.74
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.65
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 7615810
N-benzyl-3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41110274
N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 41110309
N-benzyl-4-(diethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41110277
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-phenyl-N-(pyridin-3-ylmethyl)benzamide
CID 40982975
N-benzyl-3,4,5-triethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41109631
N-benzyl-3-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 56501884
N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 41340207
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 40982979
N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 7512091
N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 29388167
N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)pent-4-enamide
CID 52866242

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,4,5-triethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-benzyl-3,4,5-triethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide (CID 41110314) is N-benzyl-3,4,5-triethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-benzyl-3,4,5-triethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-benzyl-3,4,5-triethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide is CCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3cc(OCC)c(OCC)c(OCC)c3)sc2c1.
What is the InChIKey of N-benzyl-3,4,5-triethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is QDSDZZXLEWDUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O5S/c1-5-33-22-14-15-23-26(18-22)37-29(30-23)31(19-20-12-10-9-11-13-20)28(32)21-16-24(34-6-2)27(36-8-4)25(17-21)35-7-3/h9-18H,5-8,19H2,1-4H3.
What are the key properties of N-benzyl-3,4,5-triethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
N-benzyl-3,4,5-triethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 520.65 g/mol, XLogP of 6.74, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,4,5-triethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 41110314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).