4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide

C23H19N3O4S3 — CID 16831208

IUPAC4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
SMILESCN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CSc2ccccc2-3)cc1
InChIInChI=1S/C23H19N3O4S3/c1-26(13-16-5-4-12-30-16)33(28,29)17-10-8-15(9-11-17)22(27)25-23-24-21-18-6-2-3-7-19(18)31-14-20(21)32-23/h2-12H,13-14H2,1H3,(H,24,25,27)
InChIKeyIDHCLXXSKVCBCN-UHFFFAOYSA-N
MW497.62 g/mol
LogP5.08
Rot. Bonds6

About 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide

4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide (PubChem CID 16831208) has the molecular formula C23H19N3O4S3 and a molecular weight of 497.62 g/mol. Its IUPAC name is 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
PubChem CID16831208
Molecular FormulaC23H19N3O4S3
Molecular Weight497.62 g/mol
Exact Mass497.05
IUPAC Name4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
SMILESCN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CSc2ccccc2-3)cc1
InChIInChI=1S/C23H19N3O4S3/c1-26(13-16-5-4-12-30-16)33(28,29)17-10-8-15(9-11-17)22(27)25-23-24-21-18-6-2-3-7-19(18)31-14-20(21)32-23/h2-12H,13-14H2,1H3,(H,24,25,27)
InChIKeyIDHCLXXSKVCBCN-UHFFFAOYSA-N
XLogP5.08
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.62
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide?
The IUPAC name of 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide (CID 16831208) is 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide?
The canonical SMILES for 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide is CN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CSc2ccccc2-3)cc1.
What is the InChIKey of 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide?
The InChIKey is IDHCLXXSKVCBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4S3/c1-26(13-16-5-4-12-30-16)33(28,29)17-10-8-15(9-11-17)22(27)25-23-24-21-18-6-2-3-7-19(18)31-14-20(21)32-23/h2-12H,13-14H2,1H3,(H,24,25,27).
What are the key properties of 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide?
4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide has a molecular weight of 497.62 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide is sourced from PubChem (CID 16831208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).