2,5-dimethyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide

C22H28N2O3S — CID 108566075

IUPAC2,5-dimethyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)c1
InChIInChI=1S/C22H28N2O3S/c1-17-8-9-18(2)21(16-17)28(26,27)23-20-12-14-24(15-13-20)22(25)11-10-19-6-4-3-5-7-19/h3-9,16,20,23H,10-15H2,1-2H3
InChIKeyGXLWKNMRNRXAAI-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.21
Rot. Bonds6

About 2,5-dimethyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide

2,5-dimethyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 108566075) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide
PubChem CID108566075
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name2,5-dimethyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)c1
InChIInChI=1S/C22H28N2O3S/c1-17-8-9-18(2)21(16-17)28(26,27)23-20-12-14-24(15-13-20)22(25)11-10-19-6-4-3-5-7-19/h3-9,16,20,23H,10-15H2,1-2H3
InChIKeyGXLWKNMRNRXAAI-UHFFFAOYSA-N
XLogP3.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-[1-(4-phenoxybutanoyl)piperidin-4-yl]benzenesulfonamide
CID 108565409
4-tert-butyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 108566073
N-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]ethanesulfonamide
CID 110822627
2-methyl-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide
CID 110819574
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 108566573
N-[1-(3-phenylpropanoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108566076
N-(1-ethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide
CID 17456820
2-(2,4-dimethylphenoxy)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 108551090
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108566788
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2,5-dimethylbenzenesulfonamide
CID 108563470
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
2,5-dimethyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 108567274

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide (CID 108566075) is 2,5-dimethyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)c1.
What is the InChIKey of 2,5-dimethyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is GXLWKNMRNRXAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-17-8-9-18(2)21(16-17)28(26,27)23-20-12-14-24(15-13-20)22(25)11-10-19-6-4-3-5-7-19/h3-9,16,20,23H,10-15H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide?
2,5-dimethyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 400.54 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 108566075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).