N-(1-benzylpiperidin-4-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide

C23H31N3O3S — CID 26691417

IUPACN-(1-benzylpiperidin-4-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1C
InChIInChI=1S/C23H31N3O3S/c1-18-8-9-22(16-19(18)2)30(28,29)24-13-10-23(27)25-21-11-14-26(15-12-21)17-20-6-4-3-5-7-20/h3-9,16,21,24H,10-15,17H2,1-2H3,(H,25,27)
InChIKeySSQBMXZWMKFIFY-UHFFFAOYSA-N
MW429.59 g/mol
LogP2.75
Rot. Bonds8

About N-(1-benzylpiperidin-4-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide

N-(1-benzylpiperidin-4-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide (PubChem CID 26691417) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
PubChem CID26691417
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1C
InChIInChI=1S/C23H31N3O3S/c1-18-8-9-22(16-19(18)2)30(28,29)24-13-10-23(27)25-21-11-14-26(15-12-21)17-20-6-4-3-5-7-20/h3-9,16,21,24H,10-15,17H2,1-2H3,(H,25,27)
InChIKeySSQBMXZWMKFIFY-UHFFFAOYSA-N
XLogP2.75
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-(pyridin-3-ylsulfonylamino)propanamide
CID 39895873
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 46450682
N-[(1-benzylpiperidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 16887788
N-(1-benzylpyrrolidin-3-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide
CID 55378305
N-(1-benzylpiperidin-4-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 9165150
3-[(4-bromophenyl)sulfonylamino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 55960822
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 52665329
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
5-(ethylsulfamoyl)-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 55754112
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]propanamide
CID 56569415
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 11919981

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide (CID 26691417) is N-(1-benzylpiperidin-4-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1C.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
The InChIKey is SSQBMXZWMKFIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-18-8-9-22(16-19(18)2)30(28,29)24-13-10-23(27)25-21-11-14-26(15-12-21)17-20-6-4-3-5-7-20/h3-9,16,21,24H,10-15,17H2,1-2H3,(H,25,27).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
N-(1-benzylpiperidin-4-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide has a molecular weight of 429.59 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 26691417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).