N-benzyl-4-ethylsulfonyl-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide

C24H22N2O4S2 — CID 18581952

IUPACN-benzyl-4-ethylsulfonyl-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)c2nc3cc(OC)ccc3s2)cc1
InChIInChI=1S/C24H22N2O4S2/c1-3-32(28,29)20-12-9-18(10-13-20)23(27)26(16-17-7-5-4-6-8-17)24-25-21-15-19(30-2)11-14-22(21)31-24/h4-15H,3,16H2,1-2H3
InChIKeyCPVVWXASMZYQSH-UHFFFAOYSA-N
MW466.58 g/mol
LogP4.95
Rot. Bonds7

About N-benzyl-4-ethylsulfonyl-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide

N-benzyl-4-ethylsulfonyl-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 18581952) has the molecular formula C24H22N2O4S2 and a molecular weight of 466.58 g/mol. Its IUPAC name is N-benzyl-4-ethylsulfonyl-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-ethylsulfonyl-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID18581952
Molecular FormulaC24H22N2O4S2
Molecular Weight466.58 g/mol
Exact Mass466.10
IUPAC NameN-benzyl-4-ethylsulfonyl-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)c2nc3cc(OC)ccc3s2)cc1
InChIInChI=1S/C24H22N2O4S2/c1-3-32(28,29)20-12-9-18(10-13-20)23(27)26(16-17-7-5-4-6-8-17)24-25-21-15-19(30-2)11-14-22(21)31-24/h4-15H,3,16H2,1-2H3
InChIKeyCPVVWXASMZYQSH-UHFFFAOYSA-N
XLogP4.95
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
CID 41110024
N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41324457
N-(5-methoxy-1,3-benzothiazol-2-yl)-4-phenyl-N-(pyridin-3-ylmethyl)benzamide
CID 40995711
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(propan-2-ylsulfamoyl)benzamide
CID 16597575
2-(4-ethylsulfonylphenyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 41127006
N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7615785
N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
CID 41110622
4-(diethylsulfamoyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41055606
4-[benzyl(ethyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 43965845
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 41110198
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 18587392
N-[2-(diethylamino)ethyl]-4-ethylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44927961

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-ethylsulfonyl-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-benzyl-4-ethylsulfonyl-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 18581952) is N-benzyl-4-ethylsulfonyl-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-benzyl-4-ethylsulfonyl-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-benzyl-4-ethylsulfonyl-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide is CCS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)c2nc3cc(OC)ccc3s2)cc1.
What is the InChIKey of N-benzyl-4-ethylsulfonyl-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is CPVVWXASMZYQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S2/c1-3-32(28,29)20-12-9-18(10-13-20)23(27)26(16-17-7-5-4-6-8-17)24-25-21-15-19(30-2)11-14-22(21)31-24/h4-15H,3,16H2,1-2H3.
What are the key properties of N-benzyl-4-ethylsulfonyl-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide?
N-benzyl-4-ethylsulfonyl-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 466.58 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-ethylsulfonyl-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 18581952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).