1-(4-methylphenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide

C23H29N3O6S2 — CID 23797550

IUPAC1-(4-methylphenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1
InChIInChI=1S/C23H29N3O6S2/c1-18-2-6-21(7-3-18)33(28,29)25-12-10-19(11-13-25)23(27)24-20-4-8-22(9-5-20)34(30,31)26-14-16-32-17-15-26/h2-9,19H,10-17H2,1H3,(H,24,27)
InChIKeyMVPRZEONOFPCJA-UHFFFAOYSA-N
MW507.63 g/mol
LogP2.06
Rot. Bonds6

About 1-(4-methylphenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide

1-(4-methylphenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide (PubChem CID 23797550) has the molecular formula C23H29N3O6S2 and a molecular weight of 507.63 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
PubChem CID23797550
Molecular FormulaC23H29N3O6S2
Molecular Weight507.63 g/mol
Exact Mass507.15
IUPAC Name1-(4-methylphenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1
InChIInChI=1S/C23H29N3O6S2/c1-18-2-6-21(7-3-18)33(28,29)25-12-10-19(11-13-25)23(27)24-20-4-8-22(9-5-20)34(30,31)26-14-16-32-17-15-26/h2-9,19H,10-17H2,1H3,(H,24,27)
InChIKeyMVPRZEONOFPCJA-UHFFFAOYSA-N
XLogP2.06
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.63
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide (CID 23797550) is 1-(4-methylphenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide?
The InChIKey is MVPRZEONOFPCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6S2/c1-18-2-6-21(7-3-18)33(28,29)25-12-10-19(11-13-25)23(27)24-20-4-8-22(9-5-20)34(30,31)26-14-16-32-17-15-26/h2-9,19H,10-17H2,1H3,(H,24,27).
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide?
1-(4-methylphenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide has a molecular weight of 507.63 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 23797550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).