1-(4-methylphenyl)sulfonyl-N-[3-(2-phenylethoxy)propyl]piperidine-4-carboxamide

C24H32N2O4S — CID 55861964

IUPAC1-(4-methylphenyl)sulfonyl-N-[3-(2-phenylethoxy)propyl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCOCCc3ccccc3)CC2)cc1
InChIInChI=1S/C24H32N2O4S/c1-20-8-10-23(11-9-20)31(28,29)26-16-12-22(13-17-26)24(27)25-15-5-18-30-19-14-21-6-3-2-4-7-21/h2-4,6-11,22H,5,12-19H2,1H3,(H,25,27)
InChIKeyRUXOHUOXHWTVOR-UHFFFAOYSA-N
MW444.60 g/mol
LogP3.16
Rot. Bonds10

About 1-(4-methylphenyl)sulfonyl-N-[3-(2-phenylethoxy)propyl]piperidine-4-carboxamide

1-(4-methylphenyl)sulfonyl-N-[3-(2-phenylethoxy)propyl]piperidine-4-carboxamide (PubChem CID 55861964) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-[3-(2-phenylethoxy)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-[3-(2-phenylethoxy)propyl]piperidine-4-carboxamide
PubChem CID55861964
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC Name1-(4-methylphenyl)sulfonyl-N-[3-(2-phenylethoxy)propyl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCOCCc3ccccc3)CC2)cc1
InChIInChI=1S/C24H32N2O4S/c1-20-8-10-23(11-9-20)31(28,29)26-16-12-22(13-17-26)24(27)25-15-5-18-30-19-14-21-6-3-2-4-7-21/h2-4,6-11,22H,5,12-19H2,1H3,(H,25,27)
InChIKeyRUXOHUOXHWTVOR-UHFFFAOYSA-N
XLogP3.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 53.16
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

1-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 8795286
N-(3-hydroxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 3152303
N-[3-(2-chlorophenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100649073
1-(2,5-dichlorophenyl)sulfonyl-N-[3-(2-phenylethoxy)propyl]piperidine-4-carboxamide
CID 60526283
1-(benzenesulfonyl)-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 17478459
N-(3,3-diphenylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 26796402
N-[3-(2-ethoxyphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100648316
N-(3-butoxypropyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 27682716
N-benzyl-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide
CID 20968119
N-[3-(4-methoxyphenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100656350
1-(benzenesulfonyl)-N-[3-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 133167768
1-(4-methylphenyl)sulfonyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 26594170

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-[3-(2-phenylethoxy)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-[3-(2-phenylethoxy)propyl]piperidine-4-carboxamide (CID 55861964) is 1-(4-methylphenyl)sulfonyl-N-[3-(2-phenylethoxy)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-[3-(2-phenylethoxy)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-[3-(2-phenylethoxy)propyl]piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCOCCc3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-[3-(2-phenylethoxy)propyl]piperidine-4-carboxamide?
The InChIKey is RUXOHUOXHWTVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-20-8-10-23(11-9-20)31(28,29)26-16-12-22(13-17-26)24(27)25-15-5-18-30-19-14-21-6-3-2-4-7-21/h2-4,6-11,22H,5,12-19H2,1H3,(H,25,27).
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-[3-(2-phenylethoxy)propyl]piperidine-4-carboxamide?
1-(4-methylphenyl)sulfonyl-N-[3-(2-phenylethoxy)propyl]piperidine-4-carboxamide has a molecular weight of 444.60 g/mol, XLogP of 3.16, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-[3-(2-phenylethoxy)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 55861964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).