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

C25H24N2O3S — CID 41109779

IUPACN-benzyl-4-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1ccc(C(=O)N(Cc2ccccc2)c2nc3c(OCC)cccc3s2)cc1
InChIInChI=1S/C25H24N2O3S/c1-3-29-20-15-13-19(14-16-20)24(28)27(17-18-9-6-5-7-10-18)25-26-23-21(30-4-2)11-8-12-22(23)31-25/h5-16H,3-4,17H2,1-2H3
InChIKeyKTDPVBYEJCRGLO-UHFFFAOYSA-N
MW432.55 g/mol
LogP5.94
Rot. Bonds8

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

N-benzyl-4-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 41109779) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-benzyl-4-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID41109779
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC NameN-benzyl-4-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1ccc(C(=O)N(Cc2ccccc2)c2nc3c(OCC)cccc3s2)cc1
InChIInChI=1S/C25H24N2O3S/c1-3-29-20-15-13-19(14-16-20)24(28)27(17-18-9-6-5-7-10-18)25-26-23-21(30-4-2)11-8-12-22(23)31-25/h5-16H,3-4,17H2,1-2H3
InChIKeyKTDPVBYEJCRGLO-UHFFFAOYSA-N
XLogP5.94
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41109734
N-benzyl-4-ethoxy-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 41109701
N-benzyl-2-(4-chlorophenoxy)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 41109767
N-benzyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7615772
N-[3-(dimethylamino)propyl]-4-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44930385
4-butoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41055429
N-benzyl-5-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 41109764
N-benzyl-3,4,5-triethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41109631
4-[benzyl(methyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 18563794
N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide
CID 41055471
N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 40519165
4-benzoyl-N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 43959733

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-benzyl-4-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide (CID 41109779) is N-benzyl-4-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-benzyl-4-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-benzyl-4-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide is CCOc1ccc(C(=O)N(Cc2ccccc2)c2nc3c(OCC)cccc3s2)cc1.
What is the InChIKey of N-benzyl-4-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is KTDPVBYEJCRGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-3-29-20-15-13-19(14-16-20)24(28)27(17-18-9-6-5-7-10-18)25-26-23-21(30-4-2)11-8-12-22(23)31-25/h5-16H,3-4,17H2,1-2H3.
What are the key properties of N-benzyl-4-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide?
N-benzyl-4-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 432.55 g/mol, XLogP of 5.94, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 41109779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).