4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)-N-propan-2-ylbenzamide

C24H32N2O5S2 — CID 56501705

IUPAC4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)-N-propan-2-ylbenzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)N(c3ccc(S(C)(=O)=O)cc3)C(C)C)cc2)C1
InChIInChI=1S/C24H32N2O5S2/c1-17(2)26(21-8-12-22(13-9-21)32(5,28)29)24(27)20-6-10-23(11-7-20)33(30,31)25-15-18(3)14-19(4)16-25/h6-13,17-19H,14-16H2,1-5H3
InChIKeySAQXNCBJODKEIF-UHFFFAOYSA-N
MW492.66 g/mol
LogP3.81
Rot. Bonds6

About 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)-N-propan-2-ylbenzamide

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)-N-propan-2-ylbenzamide (PubChem CID 56501705) has the molecular formula C24H32N2O5S2 and a molecular weight of 492.66 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)-N-propan-2-ylbenzamide
PubChem CID56501705
Molecular FormulaC24H32N2O5S2
Molecular Weight492.66 g/mol
Exact Mass492.18
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)-N-propan-2-ylbenzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)N(c3ccc(S(C)(=O)=O)cc3)C(C)C)cc2)C1
InChIInChI=1S/C24H32N2O5S2/c1-17(2)26(21-8-12-22(13-9-21)32(5,28)29)24(27)20-6-10-23(11-7-20)33(30,31)25-15-18(3)14-19(4)16-25/h6-13,17-19H,14-16H2,1-5H3
InChIKeySAQXNCBJODKEIF-UHFFFAOYSA-N
XLogP3.81
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.66
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)-N-propan-2-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

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 45354544
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methyl-N-(1-phenylethyl)benzamide
CID 46601304
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 2049561
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl chloride
CID 7109677
N-[(1S)-1-cyclopropylethyl]-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 9478716
N-[(2S)-1-aminopropan-2-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 120508573
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N',N'-dimethylbenzohydrazide
CID 9163818
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pentan-3-ylbenzamide
CID 2623059
N-(3-aminobutyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 119499240
[(2S)-1-amino-1-oxopropan-2-yl] 4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 7197040
[(2S)-1-amino-1-oxopropan-2-yl] 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 2600668
N-(3-amino-2,2-dimethylpropyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide;hydrochloride
CID 119656646

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)-N-propan-2-ylbenzamide?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)-N-propan-2-ylbenzamide (CID 56501705) is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)-N-propan-2-ylbenzamide is CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)N(c3ccc(S(C)(=O)=O)cc3)C(C)C)cc2)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)-N-propan-2-ylbenzamide?
The InChIKey is SAQXNCBJODKEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5S2/c1-17(2)26(21-8-12-22(13-9-21)32(5,28)29)24(27)20-6-10-23(11-7-20)33(30,31)25-15-18(3)14-19(4)16-25/h6-13,17-19H,14-16H2,1-5H3.
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)-N-propan-2-ylbenzamide?
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)-N-propan-2-ylbenzamide has a molecular weight of 492.66 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 56501705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).