methyl 3-[(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)amino]benzoate

C24H29N3O6S — CID 26240399

IUPACmethyl 3-[(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)c1
InChIInChI=1S/C24H29N3O6S/c1-32-24(29)18-6-5-7-19(16-18)25-23(28)21-17-20(34(30,31)27-12-14-33-15-13-27)8-9-22(21)26-10-3-2-4-11-26/h5-9,16-17H,2-4,10-15H2,1H3,(H,25,28)
InChIKeyWIXGBIBPUBNJBG-UHFFFAOYSA-N
MW487.58 g/mol
LogP2.74
Rot. Bonds6

About methyl 3-[(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)amino]benzoate

methyl 3-[(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)amino]benzoate (PubChem CID 26240399) has the molecular formula C24H29N3O6S and a molecular weight of 487.58 g/mol. Its IUPAC name is methyl 3-[(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)amino]benzoate
PubChem CID26240399
Molecular FormulaC24H29N3O6S
Molecular Weight487.58 g/mol
Exact Mass487.18
IUPAC Namemethyl 3-[(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)c1
InChIInChI=1S/C24H29N3O6S/c1-32-24(29)18-6-5-7-19(16-18)25-23(28)21-17-20(34(30,31)27-12-14-33-15-13-27)8-9-22(21)26-10-3-2-4-11-26/h5-9,16-17H,2-4,10-15H2,1H3,(H,25,28)
InChIKeyWIXGBIBPUBNJBG-UHFFFAOYSA-N
XLogP2.74
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)amino]benzoate?
The IUPAC name of methyl 3-[(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)amino]benzoate (CID 26240399) is methyl 3-[(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)amino]benzoate?
The canonical SMILES for methyl 3-[(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)c1.
What is the InChIKey of methyl 3-[(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)amino]benzoate?
The InChIKey is WIXGBIBPUBNJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6S/c1-32-24(29)18-6-5-7-19(16-18)25-23(28)21-17-20(34(30,31)27-12-14-33-15-13-27)8-9-22(21)26-10-3-2-4-11-26/h5-9,16-17H,2-4,10-15H2,1H3,(H,25,28).
What are the key properties of methyl 3-[(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)amino]benzoate?
methyl 3-[(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)amino]benzoate has a molecular weight of 487.58 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)amino]benzoate is sourced from PubChem (CID 26240399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).