N-(2,3-dimethylphenyl)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide

C22H28N2O3S — CID 2347527

IUPACN-(2,3-dimethylphenyl)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
SMILESCc1cccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)c1C
InChIInChI=1S/C22H28N2O3S/c1-15-11-16(2)14-24(13-15)28(26,27)20-9-6-8-19(12-20)22(25)23-21-10-5-7-17(3)18(21)4/h5-10,12,15-16H,11,13-14H2,1-4H3,(H,23,25)/t15-,16+
InChIKeyMXTNZXKAHUULBD-IYBDPMFKSA-N
MW400.54 g/mol
LogP4.22
Rot. Bonds4

About N-(2,3-dimethylphenyl)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide

N-(2,3-dimethylphenyl)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide (PubChem CID 2347527) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
PubChem CID2347527
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-(2,3-dimethylphenyl)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
SMILESCc1cccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)c1C
InChIInChI=1S/C22H28N2O3S/c1-15-11-16(2)14-24(13-15)28(26,27)20-9-6-8-19(12-20)22(25)23-21-10-5-7-17(3)18(21)4/h5-10,12,15-16H,11,13-14H2,1-4H3,(H,23,25)/t15-,16+
InChIKeyMXTNZXKAHUULBD-IYBDPMFKSA-N
XLogP4.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dimethylphenyl)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide 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-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085984
N-cyclopentyl-2-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide
CID 16548323
N-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 51158808
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide
CID 51194004
N-(4-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 46797436
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 5168409
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(methylamino)propyl]benzamide
CID 120829858
3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide
CID 30856229
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55811955
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-nitrophenyl)benzamide
CID 55347661
N-(2,3-dimethylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26538375
N-[4-(difluoromethoxy)phenyl]-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 26524631

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide (CID 2347527) is N-(2,3-dimethylphenyl)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide is Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide?
The InChIKey is MXTNZXKAHUULBD-IYBDPMFKSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-15-11-16(2)14-24(13-15)28(26,27)20-9-6-8-19(12-20)22(25)23-21-10-5-7-17(3)18(21)4/h5-10,12,15-16H,11,13-14H2,1-4H3,(H,23,25)/t15-,16+.
What are the key properties of N-(2,3-dimethylphenyl)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide?
N-(2,3-dimethylphenyl)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide has a molecular weight of 400.54 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 2347527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).