N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-methylsulfonylbenzamide

C22H20N2O4S2 — CID 30707425

IUPACN-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-methylsulfonylbenzamide
SMILESCCc1ccc2nc(N(Cc3ccco3)C(=O)c3ccccc3S(C)(=O)=O)sc2c1
InChIInChI=1S/C22H20N2O4S2/c1-3-15-10-11-18-19(13-15)29-22(23-18)24(14-16-7-6-12-28-16)21(25)17-8-4-5-9-20(17)30(2,26)27/h4-13H,3,14H2,1-2H3
InChIKeyFWSGBXICYUBJIV-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.70
Rot. Bonds6

About N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-methylsulfonylbenzamide

N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-methylsulfonylbenzamide (PubChem CID 30707425) has the molecular formula C22H20N2O4S2 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-methylsulfonylbenzamide
PubChem CID30707425
Molecular FormulaC22H20N2O4S2
Molecular Weight440.55 g/mol
Exact Mass440.09
IUPAC NameN-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-methylsulfonylbenzamide
SMILESCCc1ccc2nc(N(Cc3ccco3)C(=O)c3ccccc3S(C)(=O)=O)sc2c1
InChIInChI=1S/C22H20N2O4S2/c1-3-15-10-11-18-19(13-15)29-22(23-18)24(14-16-7-6-12-28-16)21(25)17-8-4-5-9-20(17)30(2,26)27/h4-13H,3,14H2,1-2H3
InChIKeyFWSGBXICYUBJIV-UHFFFAOYSA-N
XLogP4.70
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-methylsulfonylbenzamide
CID 30708073
N-[2-(dimethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide
CID 41044932
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide
CID 30707289
N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide;hydrochloride
CID 44931867
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16879700
4-[benzyl(ethyl)sulfamoyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 44949161
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide
CID 30707028
N-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 8718552
dimethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(2-methylsulfonylbenzoyl)amino]ethyl]azanium
CID 7580128
N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 16823083
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-methylsulfonylbenzamide
CID 41045379
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,5-dimethylbenzamide
CID 30713409

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-methylsulfonylbenzamide?
The IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-methylsulfonylbenzamide (CID 30707425) is N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-methylsulfonylbenzamide.
What is the SMILES notation for N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-methylsulfonylbenzamide?
The canonical SMILES for N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-methylsulfonylbenzamide is CCc1ccc2nc(N(Cc3ccco3)C(=O)c3ccccc3S(C)(=O)=O)sc2c1.
What is the InChIKey of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-methylsulfonylbenzamide?
The InChIKey is FWSGBXICYUBJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S2/c1-3-15-10-11-18-19(13-15)29-22(23-18)24(14-16-7-6-12-28-16)21(25)17-8-4-5-9-20(17)30(2,26)27/h4-13H,3,14H2,1-2H3.
What are the key properties of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-methylsulfonylbenzamide?
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-methylsulfonylbenzamide has a molecular weight of 440.55 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-methylsulfonylbenzamide is sourced from PubChem (CID 30707425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).