N-benzyl-4-ethoxy-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide

C25H24N2O2S — CID 41109701

IUPACN-benzyl-4-ethoxy-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1ccc(C(=O)N(Cc2ccccc2)c2nc3c(CC)cccc3s2)cc1
InChIInChI=1S/C25H24N2O2S/c1-3-19-11-8-12-22-23(19)26-25(30-22)27(17-18-9-6-5-7-10-18)24(28)20-13-15-21(16-14-20)29-4-2/h5-16H,3-4,17H2,1-2H3
InChIKeyOTQQHWIDWSWEFZ-UHFFFAOYSA-N
MW416.55 g/mol
LogP6.10
Rot. Bonds7

About N-benzyl-4-ethoxy-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide

N-benzyl-4-ethoxy-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 41109701) has the molecular formula C25H24N2O2S and a molecular weight of 416.55 g/mol. Its IUPAC name is N-benzyl-4-ethoxy-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-ethoxy-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID41109701
Molecular FormulaC25H24N2O2S
Molecular Weight416.55 g/mol
Exact Mass416.16
IUPAC NameN-benzyl-4-ethoxy-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1ccc(C(=O)N(Cc2ccccc2)c2nc3c(CC)cccc3s2)cc1
InChIInChI=1S/C25H24N2O2S/c1-3-19-11-8-12-22-23(19)26-25(30-22)27(17-18-9-6-5-7-10-18)24(28)20-13-15-21(16-14-20)29-4-2/h5-16H,3-4,17H2,1-2H3
InChIKeyOTQQHWIDWSWEFZ-UHFFFAOYSA-N
XLogP6.10
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41109779
N-benzyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41109734
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 41055404
N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
CID 41109630
N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide
CID 43990108
N-benzyl-3,4,5-triethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41109631
N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide
CID 41146462
N-benzyl-4-methyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 43989882
methyl 4-[benzyl-(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 41109852
N-benzyl-4-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide
CID 41109819
4-tert-butyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41055400
4-(dimethylamino)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 40519158

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-ethoxy-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-benzyl-4-ethoxy-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide (CID 41109701) is N-benzyl-4-ethoxy-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-benzyl-4-ethoxy-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-benzyl-4-ethoxy-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide is CCOc1ccc(C(=O)N(Cc2ccccc2)c2nc3c(CC)cccc3s2)cc1.
What is the InChIKey of N-benzyl-4-ethoxy-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is OTQQHWIDWSWEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2S/c1-3-19-11-8-12-22-23(19)26-25(30-22)27(17-18-9-6-5-7-10-18)24(28)20-13-15-21(16-14-20)29-4-2/h5-16H,3-4,17H2,1-2H3.
What are the key properties of N-benzyl-4-ethoxy-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide?
N-benzyl-4-ethoxy-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 416.55 g/mol, XLogP of 6.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-ethoxy-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 41109701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).