4-[cyclopentyl(methyl)sulfamoyl]-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide

C24H25N3O3S2 — CID 16831192

IUPAC4-[cyclopentyl(methyl)sulfamoyl]-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
SMILESCN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1
InChIInChI=1S/C24H25N3O3S2/c1-27(18-7-3-4-8-18)32(29,30)19-13-10-17(11-14-19)23(28)26-24-25-22-20-9-5-2-6-16(20)12-15-21(22)31-24/h2,5-6,9-11,13-14,18H,3-4,7-8,12,15H2,1H3,(H,25,26,28)
InChIKeyYPBWDHBGLVWLBZ-UHFFFAOYSA-N
MW467.62 g/mol
LogP4.72
Rot. Bonds5

About 4-[cyclopentyl(methyl)sulfamoyl]-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide

4-[cyclopentyl(methyl)sulfamoyl]-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide (PubChem CID 16831192) has the molecular formula C24H25N3O3S2 and a molecular weight of 467.62 g/mol. Its IUPAC name is 4-[cyclopentyl(methyl)sulfamoyl]-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[cyclopentyl(methyl)sulfamoyl]-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
PubChem CID16831192
Molecular FormulaC24H25N3O3S2
Molecular Weight467.62 g/mol
Exact Mass467.13
IUPAC Name4-[cyclopentyl(methyl)sulfamoyl]-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
SMILESCN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1
InChIInChI=1S/C24H25N3O3S2/c1-27(18-7-3-4-8-18)32(29,30)19-13-10-17(11-14-19)23(28)26-24-25-22-20-9-5-2-6-16(20)12-15-21(22)31-24/h2,5-6,9-11,13-14,18H,3-4,7-8,12,15H2,1H3,(H,25,26,28)
InChIKeyYPBWDHBGLVWLBZ-UHFFFAOYSA-N
XLogP4.72
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.62
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl(methyl)sulfamoyl]-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide?
The IUPAC name of 4-[cyclopentyl(methyl)sulfamoyl]-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide (CID 16831192) is 4-[cyclopentyl(methyl)sulfamoyl]-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-[cyclopentyl(methyl)sulfamoyl]-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-[cyclopentyl(methyl)sulfamoyl]-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide is CN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1.
What is the InChIKey of 4-[cyclopentyl(methyl)sulfamoyl]-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide?
The InChIKey is YPBWDHBGLVWLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S2/c1-27(18-7-3-4-8-18)32(29,30)19-13-10-17(11-14-19)23(28)26-24-25-22-20-9-5-2-6-16(20)12-15-21(22)31-24/h2,5-6,9-11,13-14,18H,3-4,7-8,12,15H2,1H3,(H,25,26,28).
What are the key properties of 4-[cyclopentyl(methyl)sulfamoyl]-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide?
4-[cyclopentyl(methyl)sulfamoyl]-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide has a molecular weight of 467.62 g/mol, XLogP of 4.72, 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-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide is sourced from PubChem (CID 16831192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).