N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide

C23H22N2O6S2 — CID 30711356

IUPACN-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide
SMILESCOc1ccc(S(=O)(=O)CC(=O)N(Cc2ccco2)c2nc3c(OC)ccc(C)c3s2)cc1
InChIInChI=1S/C23H22N2O6S2/c1-15-6-11-19(30-3)21-22(15)32-23(24-21)25(13-17-5-4-12-31-17)20(26)14-33(27,28)18-9-7-16(29-2)8-10-18/h4-12H,13-14H2,1-3H3
InChIKeyONWAAYXBVWUBMJ-UHFFFAOYSA-N
MW486.57 g/mol
LogP4.22
Rot. Bonds8

About N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide

N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide (PubChem CID 30711356) has the molecular formula C23H22N2O6S2 and a molecular weight of 486.57 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide
PubChem CID30711356
Molecular FormulaC23H22N2O6S2
Molecular Weight486.57 g/mol
Exact Mass486.09
IUPAC NameN-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide
SMILESCOc1ccc(S(=O)(=O)CC(=O)N(Cc2ccco2)c2nc3c(OC)ccc(C)c3s2)cc1
InChIInChI=1S/C23H22N2O6S2/c1-15-6-11-19(30-3)21-22(15)32-23(24-21)25(13-17-5-4-12-31-17)20(26)14-33(27,28)18-9-7-16(29-2)8-10-18/h4-12H,13-14H2,1-3H3
InChIKeyONWAAYXBVWUBMJ-UHFFFAOYSA-N
XLogP4.22
TPSA98.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)butanamide
CID 30711337
N-benzyl-2-(4-chlorophenyl)sulfonyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
CID 41115638
N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide
CID 30711298
N-(furan-2-ylmethyl)-3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 30711211
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)butanamide
CID 30710825
2-(1,3-benzodioxol-5-yl)-N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
CID 41108731
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 44949412
3-chloro-N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 30711109
N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 30711145
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 30710783
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 30710938
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993579

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide (CID 30711356) is N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide is COc1ccc(S(=O)(=O)CC(=O)N(Cc2ccco2)c2nc3c(OC)ccc(C)c3s2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide?
The InChIKey is ONWAAYXBVWUBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6S2/c1-15-6-11-19(30-3)21-22(15)32-23(24-21)25(13-17-5-4-12-31-17)20(26)14-33(27,28)18-9-7-16(29-2)8-10-18/h4-12H,13-14H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide?
N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide has a molecular weight of 486.57 g/mol, XLogP of 4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide is sourced from PubChem (CID 30711356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).