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

C28H30N2O4S — CID 41109631

IUPACN-benzyl-3,4,5-triethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1cc(C(=O)N(Cc2ccccc2)c2nc3c(C)cccc3s2)cc(OCC)c1OCC
InChIInChI=1S/C28H30N2O4S/c1-5-32-22-16-21(17-23(33-6-2)26(22)34-7-3)27(31)30(18-20-13-9-8-10-14-20)28-29-25-19(4)12-11-15-24(25)35-28/h8-17H,5-7,18H2,1-4H3
InChIKeyMMDZCTIFKAOGIN-UHFFFAOYSA-N
MW490.63 g/mol
LogP6.65
Rot. Bonds10

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

N-benzyl-3,4,5-triethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 41109631) has the molecular formula C28H30N2O4S and a molecular weight of 490.63 g/mol. Its IUPAC name is N-benzyl-3,4,5-triethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-3,4,5-triethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID41109631
Molecular FormulaC28H30N2O4S
Molecular Weight490.63 g/mol
Exact Mass490.19
IUPAC NameN-benzyl-3,4,5-triethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1cc(C(=O)N(Cc2ccccc2)c2nc3c(C)cccc3s2)cc(OCC)c1OCC
InChIInChI=1S/C28H30N2O4S/c1-5-32-22-16-21(17-23(33-6-2)26(22)34-7-3)27(31)30(18-20-13-9-8-10-14-20)28-29-25-19(4)12-11-15-24(25)35-28/h8-17H,5-7,18H2,1-4H3
InChIKeyMMDZCTIFKAOGIN-UHFFFAOYSA-N
XLogP6.65
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.63
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41109734
N-benzyl-3,4,5-triethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41115592
N-benzyl-3,4,5-triethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41110314
N-benzyl-4-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41109779
N-benzyl-3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41109583
3,4,5-triethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41055472
N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
CID 41109630
N-benzyl-2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16848554
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 41016712
N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 7615764
N-benzyl-4-ethoxy-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 41109701
N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 8670797

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,4,5-triethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-benzyl-3,4,5-triethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide (CID 41109631) is N-benzyl-3,4,5-triethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-benzyl-3,4,5-triethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-benzyl-3,4,5-triethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide is CCOc1cc(C(=O)N(Cc2ccccc2)c2nc3c(C)cccc3s2)cc(OCC)c1OCC.
What is the InChIKey of N-benzyl-3,4,5-triethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is MMDZCTIFKAOGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O4S/c1-5-32-22-16-21(17-23(33-6-2)26(22)34-7-3)27(31)30(18-20-13-9-8-10-14-20)28-29-25-19(4)12-11-15-24(25)35-28/h8-17H,5-7,18H2,1-4H3.
What are the key properties of N-benzyl-3,4,5-triethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
N-benzyl-3,4,5-triethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 490.63 g/mol, XLogP of 6.65, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,4,5-triethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 41109631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).