2-methoxy-5-morpholin-4-yl-N-[2-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridinyl]pyridine-3-sulfonamide

C26H31N5O5S — CID 130302558

IUPAC2-methoxy-5-morpholin-4-yl-N-[2-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridinyl]pyridine-3-sulfonamide
SMILESCOc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1ccnc(-c2ccc(CN3CCOCC3)cc2)c1
InChIInChI=1S/C26H31N5O5S/c1-34-26-25(17-23(18-28-26)31-10-14-36-15-11-31)37(32,33)29-22-6-7-27-24(16-22)21-4-2-20(3-5-21)19-30-8-12-35-13-9-30/h2-7,16-18H,8-15,19H2,1H3,(H,27,29)
InChIKeyXNGHBUQDOIUWGD-UHFFFAOYSA-N
MW525.63 g/mol
LogP2.62
Rot. Bonds8

About 2-methoxy-5-morpholin-4-yl-N-[2-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridinyl]pyridine-3-sulfonamide

2-methoxy-5-morpholin-4-yl-N-[2-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridinyl]pyridine-3-sulfonamide (PubChem CID 130302558) has the molecular formula C26H31N5O5S and a molecular weight of 525.63 g/mol. Its IUPAC name is 2-methoxy-5-morpholin-4-yl-N-[2-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridinyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-methoxy-5-morpholin-4-yl-N-[2-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridinyl]pyridine-3-sulfonamide
PubChem CID130302558
Molecular FormulaC26H31N5O5S
Molecular Weight525.63 g/mol
Exact Mass525.20
IUPAC Name2-methoxy-5-morpholin-4-yl-N-[2-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridinyl]pyridine-3-sulfonamide
SMILESCOc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1ccnc(-c2ccc(CN3CCOCC3)cc2)c1
InChIInChI=1S/C26H31N5O5S/c1-34-26-25(17-23(18-28-26)31-10-14-36-15-11-31)37(32,33)29-22-6-7-27-24(16-22)21-4-2-20(3-5-21)19-30-8-12-35-13-9-30/h2-7,16-18H,8-15,19H2,1H3,(H,27,29)
InChIKeyXNGHBUQDOIUWGD-UHFFFAOYSA-N
XLogP2.62
TPSA106.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.63
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-morpholin-4-yl-N-[2-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridinyl]pyridine-3-sulfonamide?
The IUPAC name of 2-methoxy-5-morpholin-4-yl-N-[2-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridinyl]pyridine-3-sulfonamide (CID 130302558) is 2-methoxy-5-morpholin-4-yl-N-[2-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridinyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-methoxy-5-morpholin-4-yl-N-[2-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridinyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-methoxy-5-morpholin-4-yl-N-[2-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridinyl]pyridine-3-sulfonamide is COc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1ccnc(-c2ccc(CN3CCOCC3)cc2)c1.
What is the InChIKey of 2-methoxy-5-morpholin-4-yl-N-[2-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridinyl]pyridine-3-sulfonamide?
The InChIKey is XNGHBUQDOIUWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O5S/c1-34-26-25(17-23(18-28-26)31-10-14-36-15-11-31)37(32,33)29-22-6-7-27-24(16-22)21-4-2-20(3-5-21)19-30-8-12-35-13-9-30/h2-7,16-18H,8-15,19H2,1H3,(H,27,29).
What are the key properties of 2-methoxy-5-morpholin-4-yl-N-[2-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridinyl]pyridine-3-sulfonamide?
2-methoxy-5-morpholin-4-yl-N-[2-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridinyl]pyridine-3-sulfonamide has a molecular weight of 525.63 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-morpholin-4-yl-N-[2-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridinyl]pyridine-3-sulfonamide is sourced from PubChem (CID 130302558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).