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

C21H21N3O3S2 — CID 44993134

IUPACN-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)Cc2ccccc2-3)cc1
InChIInChI=1S/C21H21N3O3S2/c1-13(2)24(3)29(26,27)16-10-8-14(9-11-16)20(25)23-21-22-19-17-7-5-4-6-15(17)12-18(19)28-21/h4-11,13H,12H2,1-3H3,(H,22,23,25)
InChIKeyJETIYSDZMHPFBE-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.00
Rot. Bonds5

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

N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 44993134) has the molecular formula C21H21N3O3S2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID44993134
Molecular FormulaC21H21N3O3S2
Molecular Weight427.55 g/mol
Exact Mass427.10
IUPAC NameN-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)Cc2ccccc2-3)cc1
InChIInChI=1S/C21H21N3O3S2/c1-13(2)24(3)29(26,27)16-10-8-14(9-11-16)20(25)23-21-22-19-17-7-5-4-6-15(17)12-18(19)28-21/h4-11,13H,12H2,1-3H3,(H,22,23,25)
InChIKeyJETIYSDZMHPFBE-UHFFFAOYSA-N
XLogP4.00
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[benzyl(propan-2-yl)sulfamoyl]-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 16833532
4-[cyclopentyl(methyl)sulfamoyl]-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 16831192
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide
CID 5222678
N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4145482
4-[bis(2-cyanoethyl)sulfamoyl]-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 3589805
4-[methyl(phenyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 3346908
4-(diethylsulfamoyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 4294898
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993217
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 4050137
N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 2727919
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993148
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993057

Frequently Asked Questions

What is the IUPAC name of N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 44993134) is N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide is CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)Cc2ccccc2-3)cc1.
What is the InChIKey of N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is JETIYSDZMHPFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S2/c1-13(2)24(3)29(26,27)16-10-8-14(9-11-16)20(25)23-21-22-19-17-7-5-4-6-15(17)12-18(19)28-21/h4-11,13H,12H2,1-3H3,(H,22,23,25).
What are the key properties of N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 427.55 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 44993134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).