4-(dimethylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide

C20H22N2O5S — CID 26173914

IUPAC4-(dimethylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1
InChIInChI=1S/C20H22N2O5S/c1-22(2)28(24,25)16-8-5-14(6-9-16)19(23)21-15-7-10-17-18(13-15)27-20(26-17)11-3-4-12-20/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,23)
InChIKeyXLSCQKNHRMKPRP-UHFFFAOYSA-N
MW402.47 g/mol
LogP3.23
Rot. Bonds4

About 4-(dimethylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide

4-(dimethylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide (PubChem CID 26173914) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
PubChem CID26173914
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC Name4-(dimethylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1
InChIInChI=1S/C20H22N2O5S/c1-22(2)28(24,25)16-8-5-14(6-9-16)19(23)21-15-7-10-17-18(13-15)27-20(26-17)11-3-4-12-20/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,23)
InChIKeyXLSCQKNHRMKPRP-UHFFFAOYSA-N
XLogP3.23
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(dimethylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide 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

3-(dimethylsulfamoyl)-4-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 55792456
3-(dimethylsulfamoyl)-4-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
CID 46664848
4-(cyclopropylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 17443857
4-[(4-fluorophenyl)sulfonylamino]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 42280599
4-(methoxymethyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 42280468
3-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 26173901
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propanamide
CID 35644022
6-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide
CID 51333086
4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 6978549
2-chloro-5-(diethylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 42280403
2-chloro-5-(methylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 26757457
2-chloro-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-(dimethylsulfamoyl)benzamide
CID 55727742

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide (CID 26173914) is 4-(dimethylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide?
The InChIKey is XLSCQKNHRMKPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-22(2)28(24,25)16-8-5-14(6-9-16)19(23)21-15-7-10-17-18(13-15)27-20(26-17)11-3-4-12-20/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,23).
What are the key properties of 4-(dimethylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide?
4-(dimethylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide has a molecular weight of 402.47 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide is sourced from PubChem (CID 26173914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).