5-(3,6-dihydro-2H-pyran-4-yl)-N-[5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-3-pyridinyl]-2-methoxypyridine-3-sulfonamide

C29H34N4O5S — CID 164622899

IUPAC5-(3,6-dihydro-2H-pyran-4-yl)-N-[5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-3-pyridinyl]-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(C2=CCOCC2)cc1S(=O)(=O)Nc1cncc(-c2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c1
InChIInChI=1S/C29H34N4O5S/c1-20-17-33(18-21(2)38-20)19-22-4-6-23(7-5-22)25-12-27(16-30-14-25)32-39(34,35)28-13-26(15-31-29(28)36-3)24-8-10-37-11-9-24/h4-8,12-16,20-21,32H,9-11,17-19H2,1-3H3/t20-,21+
InChIKeyMZWRJTXPNXCLMU-OYRHEFFESA-N
MW550.68 g/mol
LogP4.37
Rot. Bonds8

About 5-(3,6-dihydro-2H-pyran-4-yl)-N-[5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-3-pyridinyl]-2-methoxypyridine-3-sulfonamide

5-(3,6-dihydro-2H-pyran-4-yl)-N-[5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-3-pyridinyl]-2-methoxypyridine-3-sulfonamide (PubChem CID 164622899) has the molecular formula C29H34N4O5S and a molecular weight of 550.68 g/mol. Its IUPAC name is 5-(3,6-dihydro-2H-pyran-4-yl)-N-[5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-3-pyridinyl]-2-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound Name5-(3,6-dihydro-2H-pyran-4-yl)-N-[5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-3-pyridinyl]-2-methoxypyridine-3-sulfonamide
PubChem CID164622899
Molecular FormulaC29H34N4O5S
Molecular Weight550.68 g/mol
Exact Mass550.22
IUPAC Name5-(3,6-dihydro-2H-pyran-4-yl)-N-[5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-3-pyridinyl]-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(C2=CCOCC2)cc1S(=O)(=O)Nc1cncc(-c2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c1
InChIInChI=1S/C29H34N4O5S/c1-20-17-33(18-21(2)38-20)19-22-4-6-23(7-5-22)25-12-27(16-30-14-25)32-39(34,35)28-13-26(15-31-29(28)36-3)24-8-10-37-11-9-24/h4-8,12-16,20-21,32H,9-11,17-19H2,1-3H3/t20-,21+
InChIKeyMZWRJTXPNXCLMU-OYRHEFFESA-N
XLogP4.37
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.68
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(3,6-dihydro-2H-pyran-4-yl)-N-[5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-3-pyridinyl]-2-methoxypyridine-3-sulfonamide?
The IUPAC name of 5-(3,6-dihydro-2H-pyran-4-yl)-N-[5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-3-pyridinyl]-2-methoxypyridine-3-sulfonamide (CID 164622899) is 5-(3,6-dihydro-2H-pyran-4-yl)-N-[5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-3-pyridinyl]-2-methoxypyridine-3-sulfonamide.
What is the SMILES notation for 5-(3,6-dihydro-2H-pyran-4-yl)-N-[5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-3-pyridinyl]-2-methoxypyridine-3-sulfonamide?
The canonical SMILES for 5-(3,6-dihydro-2H-pyran-4-yl)-N-[5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-3-pyridinyl]-2-methoxypyridine-3-sulfonamide is COc1ncc(C2=CCOCC2)cc1S(=O)(=O)Nc1cncc(-c2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c1.
What is the InChIKey of 5-(3,6-dihydro-2H-pyran-4-yl)-N-[5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-3-pyridinyl]-2-methoxypyridine-3-sulfonamide?
The InChIKey is MZWRJTXPNXCLMU-OYRHEFFESA-N. The full InChI is InChI=1S/C29H34N4O5S/c1-20-17-33(18-21(2)38-20)19-22-4-6-23(7-5-22)25-12-27(16-30-14-25)32-39(34,35)28-13-26(15-31-29(28)36-3)24-8-10-37-11-9-24/h4-8,12-16,20-21,32H,9-11,17-19H2,1-3H3/t20-,21+.
What are the key properties of 5-(3,6-dihydro-2H-pyran-4-yl)-N-[5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-3-pyridinyl]-2-methoxypyridine-3-sulfonamide?
5-(3,6-dihydro-2H-pyran-4-yl)-N-[5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-3-pyridinyl]-2-methoxypyridine-3-sulfonamide has a molecular weight of 550.68 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,6-dihydro-2H-pyran-4-yl)-N-[5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-3-pyridinyl]-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 164622899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).