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

C23H30N2O4S — CID 108565409

IUPAC2,5-dimethyl-N-[1-(4-phenoxybutanoyl)piperidin-4-yl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC2CCN(C(=O)CCCOc3ccccc3)CC2)c1
InChIInChI=1S/C23H30N2O4S/c1-18-10-11-19(2)22(17-18)30(27,28)24-20-12-14-25(15-13-20)23(26)9-6-16-29-21-7-4-3-5-8-21/h3-5,7-8,10-11,17,20,24H,6,9,12-16H2,1-2H3
InChIKeyIOSDPKQNWVTDQN-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.43
Rot. Bonds8

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

2,5-dimethyl-N-[1-(4-phenoxybutanoyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 108565409) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-(4-phenoxybutanoyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-(4-phenoxybutanoyl)piperidin-4-yl]benzenesulfonamide
PubChem CID108565409
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Name2,5-dimethyl-N-[1-(4-phenoxybutanoyl)piperidin-4-yl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC2CCN(C(=O)CCCOc3ccccc3)CC2)c1
InChIInChI=1S/C23H30N2O4S/c1-18-10-11-19(2)22(17-18)30(27,28)24-20-12-14-25(15-13-20)23(26)9-6-16-29-21-7-4-3-5-8-21/h3-5,7-8,10-11,17,20,24H,6,9,12-16H2,1-2H3
InChIKeyIOSDPKQNWVTDQN-UHFFFAOYSA-N
XLogP3.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 108566075
4-methyl-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzenesulfonamide
CID 108565478
2-methyl-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide
CID 110819574
1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenoxy)butan-1-one
CID 18280286
N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 108565354
3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108555362
4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 108553445
4-ethyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide
CID 108565892
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108566445
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2,5-dimethylbenzenesulfonamide
CID 108563470
1-[4-(methylamino)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one
CID 119561175
4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549132

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-(4-phenoxybutanoyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[1-(4-phenoxybutanoyl)piperidin-4-yl]benzenesulfonamide (CID 108565409) is 2,5-dimethyl-N-[1-(4-phenoxybutanoyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[1-(4-phenoxybutanoyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[1-(4-phenoxybutanoyl)piperidin-4-yl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NC2CCN(C(=O)CCCOc3ccccc3)CC2)c1.
What is the InChIKey of 2,5-dimethyl-N-[1-(4-phenoxybutanoyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is IOSDPKQNWVTDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-18-10-11-19(2)22(17-18)30(27,28)24-20-12-14-25(15-13-20)23(26)9-6-16-29-21-7-4-3-5-8-21/h3-5,7-8,10-11,17,20,24H,6,9,12-16H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-[1-(4-phenoxybutanoyl)piperidin-4-yl]benzenesulfonamide?
2,5-dimethyl-N-[1-(4-phenoxybutanoyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 430.57 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-(4-phenoxybutanoyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 108565409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).