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

C21H21N3O3S3 — CID 4294898

IUPAC4-(diethylsulfamoyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CSc2ccccc2-3)cc1
InChIInChI=1S/C21H21N3O3S3/c1-3-24(4-2)30(26,27)15-11-9-14(10-12-15)20(25)23-21-22-19-16-7-5-6-8-17(16)28-13-18(19)29-21/h5-12H,3-4,13H2,1-2H3,(H,22,23,25)
InChIKeyOATSSYNJEXBXML-UHFFFAOYSA-N
MW459.62 g/mol
LogP4.70
Rot. Bonds6

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

4-(diethylsulfamoyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide (PubChem CID 4294898) has the molecular formula C21H21N3O3S3 and a molecular weight of 459.62 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
PubChem CID4294898
Molecular FormulaC21H21N3O3S3
Molecular Weight459.62 g/mol
Exact Mass459.07
IUPAC Name4-(diethylsulfamoyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CSc2ccccc2-3)cc1
InChIInChI=1S/C21H21N3O3S3/c1-3-24(4-2)30(26,27)15-11-9-14(10-12-15)20(25)23-21-22-19-16-7-5-6-8-17(16)28-13-18(19)29-21/h5-12H,3-4,13H2,1-2H3,(H,22,23,25)
InChIKeyOATSSYNJEXBXML-UHFFFAOYSA-N
XLogP4.70
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.62
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[methyl(phenyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 3346908
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
N-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide
CID 2677030
3,4,5-trimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 4279938
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
4-(diethylsulfamoyl)-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide
CID 22581313
4-[bis(2-cyanoethyl)sulfamoyl]-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 3589805
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-(diethylsulfamoyl)benzamide
CID 16813775
N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993134
4-[benzyl(ethyl)sulfamoyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide
CID 41235460

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide (CID 4294898) is 4-(diethylsulfamoyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CSc2ccccc2-3)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide?
The InChIKey is OATSSYNJEXBXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S3/c1-3-24(4-2)30(26,27)15-11-9-14(10-12-15)20(25)23-21-22-19-16-7-5-6-8-17(16)28-13-18(19)29-21/h5-12H,3-4,13H2,1-2H3,(H,22,23,25).
What are the key properties of 4-(diethylsulfamoyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide?
4-(diethylsulfamoyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide has a molecular weight of 459.62 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide is sourced from PubChem (CID 4294898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).