4-methyl-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzenesulfonamide

C23H30N2O4S — CID 108565478

IUPAC4-methyl-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCN(C(=O)CCCOc3ccccc3C)CC2)cc1
InChIInChI=1S/C23H30N2O4S/c1-18-9-11-21(12-10-18)30(27,28)24-20-13-15-25(16-14-20)23(26)8-5-17-29-22-7-4-3-6-19(22)2/h3-4,6-7,9-12,20,24H,5,8,13-17H2,1-2H3
InChIKeyAPJBNOWTQUZNDW-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.43
Rot. Bonds8

About 4-methyl-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzenesulfonamide

4-methyl-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 108565478) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is 4-methyl-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzenesulfonamide
PubChem CID108565478
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Name4-methyl-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCN(C(=O)CCCOc3ccccc3C)CC2)cc1
InChIInChI=1S/C23H30N2O4S/c1-18-9-11-21(12-10-18)30(27,28)24-20-13-15-25(16-14-20)23(26)8-5-17-29-22-7-4-3-6-19(22)2/h3-4,6-7,9-12,20,24H,5,8,13-17H2,1-2H3
InChIKeyAPJBNOWTQUZNDW-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

N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 108565354
N-[1-[4-(2-bromophenoxy)butanoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 60511421
6-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-6-oxohexanoic acid
CID 139613522
2,5-dimethyl-N-[1-(4-phenoxybutanoyl)piperidin-4-yl]benzenesulfonamide
CID 108565409
4-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108565225
N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 50823739
1-(4-methylazepan-1-yl)-4-(2-methylphenoxy)butan-1-one
CID 60599847
2-fluoro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108549364
tert-butyl N-[3-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-3-oxopropyl]carbamate
CID 108563207
2-methyl-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide
CID 110819574
4-methoxy-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108548928
4-chloro-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108564277

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzenesulfonamide (CID 108565478) is 4-methyl-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCN(C(=O)CCCOc3ccccc3C)CC2)cc1.
What is the InChIKey of 4-methyl-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is APJBNOWTQUZNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-18-9-11-21(12-10-18)30(27,28)24-20-13-15-25(16-14-20)23(26)8-5-17-29-22-7-4-3-6-19(22)2/h3-4,6-7,9-12,20,24H,5,8,13-17H2,1-2H3.
What are the key properties of 4-methyl-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzenesulfonamide?
4-methyl-N-[1-[4-(2-methylphenoxy)butanoyl]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 4-methyl-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 108565478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).