N-(2-morpholin-4-ylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide

C26H35N3O4S — CID 2094510

IUPACN-(2-morpholin-4-ylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3N3CCOCC3)CC2)c1C
InChIInChI=1S/C26H35N3O4S/c1-18-17-19(2)21(4)25(20(18)3)34(31,32)29-11-9-22(10-12-29)26(30)27-23-7-5-6-8-24(23)28-13-15-33-16-14-28/h5-8,17,22H,9-16H2,1-4H3,(H,27,30)
InChIKeyYOLXGXHZXZHNPC-UHFFFAOYSA-N
MW485.65 g/mol
LogP3.80
Rot. Bonds5

About N-(2-morpholin-4-ylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide

N-(2-morpholin-4-ylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 2094510) has the molecular formula C26H35N3O4S and a molecular weight of 485.65 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID2094510
Molecular FormulaC26H35N3O4S
Molecular Weight485.65 g/mol
Exact Mass485.23
IUPAC NameN-(2-morpholin-4-ylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3N3CCOCC3)CC2)c1C
InChIInChI=1S/C26H35N3O4S/c1-18-17-19(2)21(4)25(20(18)3)34(31,32)29-11-9-22(10-12-29)26(30)27-23-7-5-6-8-24(23)28-13-15-33-16-14-28/h5-8,17,22H,9-16H2,1-4H3,(H,27,30)
InChIKeyYOLXGXHZXZHNPC-UHFFFAOYSA-N
XLogP3.80
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.65
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide (CID 2094510) is N-(2-morpholin-4-ylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3N3CCOCC3)CC2)c1C.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is YOLXGXHZXZHNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4S/c1-18-17-19(2)21(4)25(20(18)3)34(31,32)29-11-9-22(10-12-29)26(30)27-23-7-5-6-8-24(23)28-13-15-33-16-14-28/h5-8,17,22H,9-16H2,1-4H3,(H,27,30).
What are the key properties of N-(2-morpholin-4-ylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
N-(2-morpholin-4-ylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 485.65 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2094510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).