N-(4-cyclopentyloxyphenyl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide

C21H24N2O4S2 — CID 100732894

IUPACN-(4-cyclopentyloxyphenyl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide
SMILESCC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3ccc(OC4CCCC4)cc3)ccc21
InChIInChI=1S/C21H24N2O4S2/c1-14(2)23-19-12-11-18(13-20(19)28-21(23)24)29(25,26)22-15-7-9-17(10-8-15)27-16-5-3-4-6-16/h7-14,16,22H,3-6H2,1-2H3
InChIKeyJQGQFDVKNOYQGA-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.77
Rot. Bonds6

About N-(4-cyclopentyloxyphenyl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide

N-(4-cyclopentyloxyphenyl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide (PubChem CID 100732894) has the molecular formula C21H24N2O4S2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-(4-cyclopentyloxyphenyl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide.

Molecular Properties

Compound NameN-(4-cyclopentyloxyphenyl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide
PubChem CID100732894
Molecular FormulaC21H24N2O4S2
Molecular Weight432.57 g/mol
Exact Mass432.12
IUPAC NameN-(4-cyclopentyloxyphenyl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide
SMILESCC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3ccc(OC4CCCC4)cc3)ccc21
InChIInChI=1S/C21H24N2O4S2/c1-14(2)23-19-12-11-18(13-20(19)28-21(23)24)29(25,26)22-15-7-9-17(10-8-15)27-16-5-3-4-6-16/h7-14,16,22H,3-6H2,1-2H3
InChIKeyJQGQFDVKNOYQGA-UHFFFAOYSA-N
XLogP4.77
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-cyclopentyloxyphenyl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-dimethylphenyl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide
CID 100728193
3-[(4-chlorophenyl)methyl]-N-(4-cyclopentyloxyphenyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100752945
N-(3-bromophenyl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide
CID 100728280
N-(2,6-dimethylphenyl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide
CID 100728183
3-fluoro-4-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 100556695
N-(2-bromophenyl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide
CID 100728487
N-[(4-methoxyphenyl)methyl]-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide
CID 100729148
N-(5-chloro-2-methylphenyl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide
CID 100729347
N-(2-methyl-6-propan-2-ylphenyl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide
CID 100730465
2-oxo-3-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-benzothiazole-6-sulfonamide
CID 100731713
N-(3-cyclopentyloxypropyl)-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100720654
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide
CID 133186085

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentyloxyphenyl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide?
The IUPAC name of N-(4-cyclopentyloxyphenyl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide (CID 100732894) is N-(4-cyclopentyloxyphenyl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide.
What is the SMILES notation for N-(4-cyclopentyloxyphenyl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide?
The canonical SMILES for N-(4-cyclopentyloxyphenyl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide is CC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3ccc(OC4CCCC4)cc3)ccc21.
What is the InChIKey of N-(4-cyclopentyloxyphenyl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide?
The InChIKey is JQGQFDVKNOYQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S2/c1-14(2)23-19-12-11-18(13-20(19)28-21(23)24)29(25,26)22-15-7-9-17(10-8-15)27-16-5-3-4-6-16/h7-14,16,22H,3-6H2,1-2H3.
What are the key properties of N-(4-cyclopentyloxyphenyl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide?
N-(4-cyclopentyloxyphenyl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide has a molecular weight of 432.57 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentyloxyphenyl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide is sourced from PubChem (CID 100732894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).