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

C20H28N4O4S — CID 72718397

IUPAC4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
SMILESCCCCOc1ccc(S(=O)(=O)NCc2cc(C)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H28N4O4S/c1-3-4-11-28-18-5-7-19(8-6-18)29(25,26)21-15-17-14-16(2)22-20(23-17)24-9-12-27-13-10-24/h5-8,14,21H,3-4,9-13,15H2,1-2H3
InChIKeyZXAABVWUSNHAHX-UHFFFAOYSA-N
MW420.54 g/mol
LogP2.28
Rot. Bonds9

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

4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide (PubChem CID 72718397) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is 4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
PubChem CID72718397
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC Name4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
SMILESCCCCOc1ccc(S(=O)(=O)NCc2cc(C)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H28N4O4S/c1-3-4-11-28-18-5-7-19(8-6-18)29(25,26)21-15-17-14-16(2)22-20(23-17)24-9-12-27-13-10-24/h5-8,14,21H,3-4,9-13,15H2,1-2H3
InChIKeyZXAABVWUSNHAHX-UHFFFAOYSA-N
XLogP2.28
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 91967537
4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967481
4-butoxy-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 121075509
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
2,4-diethoxy-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352611
4-butoxy-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122297290
4-butoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 3245366
4-ethoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 91966800
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122352585
N-[3-(4-morpholin-4-ylphenyl)propyl]-4-propoxybenzenesulfonamide
CID 16891041

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide (CID 72718397) is 4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide is CCCCOc1ccc(S(=O)(=O)NCc2cc(C)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is ZXAABVWUSNHAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S/c1-3-4-11-28-18-5-7-19(8-6-18)29(25,26)21-15-17-14-16(2)22-20(23-17)24-9-12-27-13-10-24/h5-8,14,21H,3-4,9-13,15H2,1-2H3.
What are the key properties of 4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 420.54 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 72718397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).