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

C24H19N3O3S3 — CID 3346908

IUPAC4-[methyl(phenyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CSc2ccccc2-3)cc1
InChIInChI=1S/C24H19N3O3S3/c1-27(17-7-3-2-4-8-17)33(29,30)18-13-11-16(12-14-18)23(28)26-24-25-22-19-9-5-6-10-20(19)31-15-21(22)32-24/h2-14H,15H2,1H3,(H,25,26,28)
InChIKeyBPXNQZZVOLUMEY-UHFFFAOYSA-N
MW493.64 g/mol
LogP5.49
Rot. Bonds5

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

4-[methyl(phenyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide (PubChem CID 3346908) has the molecular formula C24H19N3O3S3 and a molecular weight of 493.64 g/mol. Its IUPAC name is 4-[methyl(phenyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[methyl(phenyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
PubChem CID3346908
Molecular FormulaC24H19N3O3S3
Molecular Weight493.64 g/mol
Exact Mass493.06
IUPAC Name4-[methyl(phenyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CSc2ccccc2-3)cc1
InChIInChI=1S/C24H19N3O3S3/c1-27(17-7-3-2-4-8-17)33(29,30)18-13-11-16(12-14-18)23(28)26-24-25-22-19-9-5-6-10-20(19)31-15-21(22)32-24/h2-14H,15H2,1H3,(H,25,26,28)
InChIKeyBPXNQZZVOLUMEY-UHFFFAOYSA-N
XLogP5.49
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.64
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(diethylsulfamoyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 4294898
4-(azepan-1-ylsulfonyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 3602415
N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)-4-[4-(4H-thiochromeno[4,3-d][1,3]thiazol-2-ylcarbamoyl)phenoxy]benzamide
CID 5154304
4-[methyl(phenyl)sulfamoyl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 16605132
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 4050137
3,5-dimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 5060191
N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993134
3-fluoro-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 3290409
3,4,5-trimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 4279938
4-[cyclopentyl(methyl)sulfamoyl]-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 16831192
4-[benzyl(propan-2-yl)sulfamoyl]-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 16833532
N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)-1,2-oxazole-5-carboxamide
CID 18587269

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(phenyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide?
The IUPAC name of 4-[methyl(phenyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide (CID 3346908) is 4-[methyl(phenyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[methyl(phenyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide?
The canonical SMILES for 4-[methyl(phenyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CSc2ccccc2-3)cc1.
What is the InChIKey of 4-[methyl(phenyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide?
The InChIKey is BPXNQZZVOLUMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3S3/c1-27(17-7-3-2-4-8-17)33(29,30)18-13-11-16(12-14-18)23(28)26-24-25-22-19-9-5-6-10-20(19)31-15-21(22)32-24/h2-14H,15H2,1H3,(H,25,26,28).
What are the key properties of 4-[methyl(phenyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide?
4-[methyl(phenyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide has a molecular weight of 493.64 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(phenyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide is sourced from PubChem (CID 3346908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).