N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide

C24H32N2O4S — CID 108565354

IUPACN-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCN(C(=O)CCCOc3c(C)cccc3C)CC2)cc1
InChIInChI=1S/C24H32N2O4S/c1-18-9-11-22(12-10-18)31(28,29)25-21-13-15-26(16-14-21)23(27)8-5-17-30-24-19(2)6-4-7-20(24)3/h4,6-7,9-12,21,25H,5,8,13-17H2,1-3H3
InChIKeySMPKVBWGVMQLIX-UHFFFAOYSA-N
MW444.60 g/mol
LogP3.74
Rot. Bonds8

About N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide

N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide (PubChem CID 108565354) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide
PubChem CID108565354
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC NameN-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCN(C(=O)CCCOc3c(C)cccc3C)CC2)cc1
InChIInChI=1S/C24H32N2O4S/c1-18-9-11-22(12-10-18)31(28,29)25-21-13-15-26(16-14-21)23(27)8-5-17-30-24-19(2)6-4-7-20(24)3/h4,6-7,9-12,21,25H,5,8,13-17H2,1-3H3
InChIKeySMPKVBWGVMQLIX-UHFFFAOYSA-N
XLogP3.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 53.74
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

4-methyl-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzenesulfonamide
CID 108565478
6-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-6-oxohexanoic acid
CID 139613522
4-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108565225
2,2-dichloro-N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]acetamide
CID 108565365
3-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]-1,1-dimethylurea
CID 108565372
2,5-dimethyl-N-[1-(4-phenoxybutanoyl)piperidin-4-yl]benzenesulfonamide
CID 108565409
tert-butyl N-[3-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-3-oxopropyl]carbamate
CID 108563207
N-[1-[4-(2-bromophenoxy)butanoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 60511421
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 108566573
1-(4-butanoylpiperazin-1-yl)-4-(2,6-dimethylphenoxy)butan-1-one
CID 108569037
prop-2-enyl N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]carbamate
CID 108565374
2-chloro-N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108550822

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide (CID 108565354) is N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCN(C(=O)CCCOc3c(C)cccc3C)CC2)cc1.
What is the InChIKey of N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide?
The InChIKey is SMPKVBWGVMQLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-18-9-11-22(12-10-18)31(28,29)25-21-13-15-26(16-14-21)23(27)8-5-17-30-24-19(2)6-4-7-20(24)3/h4,6-7,9-12,21,25H,5,8,13-17H2,1-3H3.
What are the key properties of N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide?
N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide has a molecular weight of 444.60 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 108565354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).