N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide

C26H34N4O7S2 — CID 3906720

IUPACN-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C26H34N4O7S2/c31-26(21-4-6-22(7-5-21)38(32,33)29-10-2-1-3-11-29)27-24-20-23(39(34,35)30-14-18-37-19-15-30)8-9-25(24)28-12-16-36-17-13-28/h4-9,20H,1-3,10-19H2,(H,27,31)
InChIKeyRZDCYHMHWHWECB-UHFFFAOYSA-N
MW578.71 g/mol
LogP1.97
Rot. Bonds7

About N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide

N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 3906720) has the molecular formula C26H34N4O7S2 and a molecular weight of 578.71 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide
PubChem CID3906720
Molecular FormulaC26H34N4O7S2
Molecular Weight578.71 g/mol
Exact Mass578.19
IUPAC NameN-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C26H34N4O7S2/c31-26(21-4-6-22(7-5-21)38(32,33)29-10-2-1-3-11-29)27-24-20-23(39(34,35)30-14-18-37-19-15-30)8-9-25(24)28-12-16-36-17-13-28/h4-9,20H,1-3,10-19H2,(H,27,31)
InChIKeyRZDCYHMHWHWECB-UHFFFAOYSA-N
XLogP1.97
TPSA125.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.71
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide (CID 3906720) is N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide is O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is RZDCYHMHWHWECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O7S2/c31-26(21-4-6-22(7-5-21)38(32,33)29-10-2-1-3-11-29)27-24-20-23(39(34,35)30-14-18-37-19-15-30)8-9-25(24)28-12-16-36-17-13-28/h4-9,20H,1-3,10-19H2,(H,27,31).
What are the key properties of N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide?
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 578.71 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 3906720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).