4-[cyclopentyl(methyl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

C21H27N3O3S2 — CID 43947274

IUPAC4-[cyclopentyl(methyl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
SMILESCC1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCC4)cc3)sc2C1
InChIInChI=1S/C21H27N3O3S2/c1-14-7-12-18-19(13-14)28-21(22-18)23-20(25)15-8-10-17(11-9-15)29(26,27)24(2)16-5-3-4-6-16/h8-11,14,16H,3-7,12-13H2,1-2H3,(H,22,23,25)
InChIKeyHXCBYCLXUWKGIP-UHFFFAOYSA-N
MW433.60 g/mol
LogP4.08
Rot. Bonds5

About 4-[cyclopentyl(methyl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

4-[cyclopentyl(methyl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 43947274) has the molecular formula C21H27N3O3S2 and a molecular weight of 433.60 g/mol. Its IUPAC name is 4-[cyclopentyl(methyl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[cyclopentyl(methyl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
PubChem CID43947274
Molecular FormulaC21H27N3O3S2
Molecular Weight433.60 g/mol
Exact Mass433.15
IUPAC Name4-[cyclopentyl(methyl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
SMILESCC1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCC4)cc3)sc2C1
InChIInChI=1S/C21H27N3O3S2/c1-14-7-12-18-19(13-14)28-21(22-18)23-20(25)15-8-10-17(11-9-15)29(26,27)24(2)16-5-3-4-6-16/h8-11,14,16H,3-7,12-13H2,1-2H3,(H,22,23,25)
InChIKeyHXCBYCLXUWKGIP-UHFFFAOYSA-N
XLogP4.08
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[cyclopentyl(methyl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide with MolForge

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Related Compounds

4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 18560843
4-bromo-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 7064945
4-tert-butyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 739433
4-fluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 3621249
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5132842
N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 26841267
4-[cyclopentyl(methyl)sulfamoyl]-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 16831192
4-(diethylamino)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 6936066
3-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 46564547
4-cyano-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 43027587
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 4690337
4-[cyclopentyl(methyl)sulfamoyl]-N-(4,7-dichloro-1,3-benzothiazol-2-yl)benzamide
CID 43947389

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl(methyl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-[cyclopentyl(methyl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide (CID 43947274) is 4-[cyclopentyl(methyl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-[cyclopentyl(methyl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-[cyclopentyl(methyl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide is CC1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCC4)cc3)sc2C1.
What is the InChIKey of 4-[cyclopentyl(methyl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is HXCBYCLXUWKGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S2/c1-14-7-12-18-19(13-14)28-21(22-18)23-20(25)15-8-10-17(11-9-15)29(26,27)24(2)16-5-3-4-6-16/h8-11,14,16H,3-7,12-13H2,1-2H3,(H,22,23,25).
What are the key properties of 4-[cyclopentyl(methyl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
4-[cyclopentyl(methyl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 433.60 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentyl(methyl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 43947274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).