3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide

C24H31N3O3S — CID 55811955

IUPAC3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(N4CCCC4)c3)c2)C1
InChIInChI=1S/C24H31N3O3S/c1-18-13-19(2)17-27(16-18)31(29,30)23-10-5-7-20(14-23)24(28)25-21-8-6-9-22(15-21)26-11-3-4-12-26/h5-10,14-15,18-19H,3-4,11-13,16-17H2,1-2H3,(H,25,28)
InChIKeyBEEYMKGTINLUKM-UHFFFAOYSA-N
MW441.60 g/mol
LogP4.21
Rot. Bonds5

About 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide

3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 55811955) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide
PubChem CID55811955
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(N4CCCC4)c3)c2)C1
InChIInChI=1S/C24H31N3O3S/c1-18-13-19(2)17-27(16-18)31(29,30)23-10-5-7-20(14-23)24(28)25-21-8-6-9-22(15-21)26-11-3-4-12-26/h5-10,14-15,18-19H,3-4,11-13,16-17H2,1-2H3,(H,25,28)
InChIKeyBEEYMKGTINLUKM-UHFFFAOYSA-N
XLogP4.21
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

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Related Compounds

3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 51960229
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 51960227
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrazol-1-ylphenyl)benzamide
CID 55766235
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-nitrophenyl)benzamide
CID 55347661
N-(4-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 46797436
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2711494
N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109065568
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]benzamide
CID 46644357
3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085984
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 46424040
3-(prop-2-ynylsulfamoyl)-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55813841
N-[4-(difluoromethoxy)phenyl]-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 26524631

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide (CID 55811955) is 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide is CC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(N4CCCC4)c3)c2)C1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is BEEYMKGTINLUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-18-13-19(2)17-27(16-18)31(29,30)23-10-5-7-20(14-23)24(28)25-21-8-6-9-22(15-21)26-11-3-4-12-26/h5-10,14-15,18-19H,3-4,11-13,16-17H2,1-2H3,(H,25,28).
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide?
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 441.60 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 55811955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).