3-methoxy-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide

C18H24N4O5S — CID 90492400

IUPAC3-methoxy-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NCCOc2cc(N3CCOCC3)nc(C)n2)c1
InChIInChI=1S/C18H24N4O5S/c1-14-20-17(22-7-10-26-11-8-22)13-18(21-14)27-9-6-19-28(23,24)16-5-3-4-15(12-16)25-2/h3-5,12-13,19H,6-11H2,1-2H3
InChIKeyQCZJDSWYONTCPI-UHFFFAOYSA-N
MW408.48 g/mol
LogP0.99
Rot. Bonds8

About 3-methoxy-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide

3-methoxy-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide (PubChem CID 90492400) has the molecular formula C18H24N4O5S and a molecular weight of 408.48 g/mol. Its IUPAC name is 3-methoxy-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide
PubChem CID90492400
Molecular FormulaC18H24N4O5S
Molecular Weight408.48 g/mol
Exact Mass408.15
IUPAC Name3-methoxy-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NCCOc2cc(N3CCOCC3)nc(C)n2)c1
InChIInChI=1S/C18H24N4O5S/c1-14-20-17(22-7-10-26-11-8-22)13-18(21-14)27-9-6-19-28(23,24)16-5-3-4-15(12-16)25-2/h3-5,12-13,19H,6-11H2,1-2H3
InChIKeyQCZJDSWYONTCPI-UHFFFAOYSA-N
XLogP0.99
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide
CID 90492461
4-tert-butyl-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide
CID 90492572
N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90492579
4-fluoro-3-methyl-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide
CID 90492473
N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869875
2-methoxy-4-methyl-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide
CID 90492477
3-methyl-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 121075503
2-methyl-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90491617
2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethanamine
CID 121206116
N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-3-(trifluoromethyl)benzamide
CID 90491773
2,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122319263
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyethanesulfonamide
CID 122294281

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide?
The IUPAC name of 3-methoxy-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide (CID 90492400) is 3-methoxy-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide is COc1cccc(S(=O)(=O)NCCOc2cc(N3CCOCC3)nc(C)n2)c1.
What is the InChIKey of 3-methoxy-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide?
The InChIKey is QCZJDSWYONTCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5S/c1-14-20-17(22-7-10-26-11-8-22)13-18(21-14)27-9-6-19-28(23,24)16-5-3-4-15(12-16)25-2/h3-5,12-13,19H,6-11H2,1-2H3.
What are the key properties of 3-methoxy-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide?
3-methoxy-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide has a molecular weight of 408.48 g/mol, XLogP of 0.99, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide is sourced from PubChem (CID 90492400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).