1-(2,4-dimethylphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide

C24H31N3O4S — CID 35014275

IUPAC1-(2,4-dimethylphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(N4CCOCC4)cc3)CC2)c(C)c1
InChIInChI=1S/C24H31N3O4S/c1-18-3-8-23(19(2)17-18)32(29,30)27-11-9-20(10-12-27)24(28)25-21-4-6-22(7-5-21)26-13-15-31-16-14-26/h3-8,17,20H,9-16H2,1-2H3,(H,25,28)
InChIKeyPWCYXMRNEZRYAL-UHFFFAOYSA-N
MW457.60 g/mol
LogP3.18
Rot. Bonds5

About 1-(2,4-dimethylphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide

1-(2,4-dimethylphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide (PubChem CID 35014275) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
PubChem CID35014275
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC Name1-(2,4-dimethylphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(N4CCOCC4)cc3)CC2)c(C)c1
InChIInChI=1S/C24H31N3O4S/c1-18-3-8-23(19(2)17-18)32(29,30)27-11-9-20(10-12-27)24(28)25-21-4-6-22(7-5-21)26-13-15-31-16-14-26/h3-8,17,20H,9-16H2,1-2H3,(H,25,28)
InChIKeyPWCYXMRNEZRYAL-UHFFFAOYSA-N
XLogP3.18
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide (CID 35014275) is 1-(2,4-dimethylphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(N4CCOCC4)cc3)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
The InChIKey is PWCYXMRNEZRYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-18-3-8-23(19(2)17-18)32(29,30)27-11-9-20(10-12-27)24(28)25-21-4-6-22(7-5-21)26-13-15-31-16-14-26/h3-8,17,20H,9-16H2,1-2H3,(H,25,28).
What are the key properties of 1-(2,4-dimethylphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
1-(2,4-dimethylphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide has a molecular weight of 457.60 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 35014275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).