N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfonylbenzamide

C25H24N2O5S2 — CID 18581973

IUPACN-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)N(Cc1ccccc1)c1nc2c(OC)ccc(OC)c2s1
InChIInChI=1S/C25H24N2O5S2/c1-4-34(29,30)21-13-9-8-12-18(21)24(28)27(16-17-10-6-5-7-11-17)25-26-22-19(31-2)14-15-20(32-3)23(22)33-25/h5-15H,4,16H2,1-3H3
InChIKeyKLUWDRKPBAIBGI-UHFFFAOYSA-N
MW496.61 g/mol
LogP4.95
Rot. Bonds8

About N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfonylbenzamide

N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfonylbenzamide (PubChem CID 18581973) has the molecular formula C25H24N2O5S2 and a molecular weight of 496.61 g/mol. Its IUPAC name is N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfonylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfonylbenzamide
PubChem CID18581973
Molecular FormulaC25H24N2O5S2
Molecular Weight496.61 g/mol
Exact Mass496.11
IUPAC NameN-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)N(Cc1ccccc1)c1nc2c(OC)ccc(OC)c2s1
InChIInChI=1S/C25H24N2O5S2/c1-4-34(29,30)21-13-9-8-12-18(21)24(28)27(16-17-10-6-5-7-11-17)25-26-22-19(31-2)14-15-20(32-3)23(22)33-25/h5-15H,4,16H2,1-3H3
InChIKeyKLUWDRKPBAIBGI-UHFFFAOYSA-N
XLogP4.95
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-2,5-dichloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
CID 41115410
N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 8670883
N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
CID 41115361
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 16802787
N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 41115421
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 40508365
N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 41115490
N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 41115335
N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 41115462
N-[2-(diethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide
CID 41046769
N-benzyl-3,4,5-triethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41115592
N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 7512003

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfonylbenzamide?
The IUPAC name of N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfonylbenzamide (CID 18581973) is N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfonylbenzamide.
What is the SMILES notation for N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfonylbenzamide?
The canonical SMILES for N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfonylbenzamide is CCS(=O)(=O)c1ccccc1C(=O)N(Cc1ccccc1)c1nc2c(OC)ccc(OC)c2s1.
What is the InChIKey of N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfonylbenzamide?
The InChIKey is KLUWDRKPBAIBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5S2/c1-4-34(29,30)21-13-9-8-12-18(21)24(28)27(16-17-10-6-5-7-11-17)25-26-22-19(31-2)14-15-20(32-3)23(22)33-25/h5-15H,4,16H2,1-3H3.
What are the key properties of N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfonylbenzamide?
N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfonylbenzamide has a molecular weight of 496.61 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfonylbenzamide is sourced from PubChem (CID 18581973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).