N-[1-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]piperidin-4-yl]-2-methylbenzamide

C24H31N3O4S — CID 55694111

IUPACN-[1-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c(C)c1
InChIInChI=1S/C24H31N3O4S/c1-17-8-9-22(19(3)16-17)32(30,31)25-13-10-23(28)27-14-11-20(12-15-27)26-24(29)21-7-5-4-6-18(21)2/h4-9,16,20,25H,10-15H2,1-3H3,(H,26,29)
InChIKeyCQEHVRAGDHCXQU-UHFFFAOYSA-N
MW457.60 g/mol
LogP2.70
Rot. Bonds7

About N-[1-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]piperidin-4-yl]-2-methylbenzamide

N-[1-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]piperidin-4-yl]-2-methylbenzamide (PubChem CID 55694111) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is N-[1-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]piperidin-4-yl]-2-methylbenzamide
PubChem CID55694111
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC NameN-[1-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c(C)c1
InChIInChI=1S/C24H31N3O4S/c1-17-8-9-22(19(3)16-17)32(30,31)25-13-10-23(28)27-14-11-20(12-15-27)26-24(29)21-7-5-4-6-18(21)2/h4-9,16,20,25H,10-15H2,1-3H3,(H,26,29)
InChIKeyCQEHVRAGDHCXQU-UHFFFAOYSA-N
XLogP2.70
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-3-oxopropyl]-2,4-dimethylbenzenesulfonamide
CID 55588409
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-methylbenzamide
CID 108574771
tert-butyl 4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylate
CID 55509878
2-chloro-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 108559899
2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 39512486
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 115671903
N-[3-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 39510053
N-[1-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperidin-4-yl]-2-methylbenzamide
CID 39511914
N-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-4-yl]-2-methylbenzamide
CID 39512668
N-[3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]-2,4-dimethylbenzenesulfonamide
CID 55361498
2-[(2S)-4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]morpholin-2-yl]acetic acid
CID 97324656
N-[1-[3-(2,4-dimethylphenyl)propanoyl]piperidin-4-yl]benzamide
CID 24575452

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]piperidin-4-yl]-2-methylbenzamide (CID 55694111) is N-[1-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]piperidin-4-yl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c(C)c1.
What is the InChIKey of N-[1-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]piperidin-4-yl]-2-methylbenzamide?
The InChIKey is CQEHVRAGDHCXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-17-8-9-22(19(3)16-17)32(30,31)25-13-10-23(28)27-14-11-20(12-15-27)26-24(29)21-7-5-4-6-18(21)2/h4-9,16,20,25H,10-15H2,1-3H3,(H,26,29).
What are the key properties of N-[1-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]piperidin-4-yl]-2-methylbenzamide?
N-[1-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]piperidin-4-yl]-2-methylbenzamide has a molecular weight of 457.60 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 55694111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).