4-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide

C18H24N4O4S — CID 91967537

IUPAC4-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cc(C)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H24N4O4S/c1-3-26-16-4-6-17(7-5-16)27(23,24)19-13-15-12-14(2)20-18(21-15)22-8-10-25-11-9-22/h4-7,12,19H,3,8-11,13H2,1-2H3
InChIKeyXBCQABYBXVCVPH-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.50
Rot. Bonds7

About 4-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide

4-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide (PubChem CID 91967537) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
PubChem CID91967537
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name4-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cc(C)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H24N4O4S/c1-3-26-16-4-6-17(7-5-16)27(23,24)19-13-15-12-14(2)20-18(21-15)22-8-10-25-11-9-22/h4-7,12,19H,3,8-11,13H2,1-2H3
InChIKeyXBCQABYBXVCVPH-UHFFFAOYSA-N
XLogP1.50
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 72718397
2,4-diethoxy-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352611
3-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122353860
4-ethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352319
3-acetyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122353831
4-ethoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 91966800
4-ethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122263634
4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967481
4-ethoxy-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 71807436
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122352585
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122352999
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 122352971

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide (CID 91967537) is 4-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2cc(C)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is XBCQABYBXVCVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-3-26-16-4-6-17(7-5-16)27(23,24)19-13-15-12-14(2)20-18(21-15)22-8-10-25-11-9-22/h4-7,12,19H,3,8-11,13H2,1-2H3.
What are the key properties of 4-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
4-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 91967537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).