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

C18H22N4O4S — CID 122353831

IUPAC3-acetyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCc2cc(C)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C18H22N4O4S/c1-13-10-16(21-18(20-13)22-6-8-26-9-7-22)12-19-27(24,25)17-5-3-4-15(11-17)14(2)23/h3-5,10-11,19H,6-9,12H2,1-2H3
InChIKeyDPUMNNHTUVICJF-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.30
Rot. Bonds6

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

3-acetyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide (PubChem CID 122353831) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is 3-acetyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
PubChem CID122353831
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC Name3-acetyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCc2cc(C)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C18H22N4O4S/c1-13-10-16(21-18(20-13)22-6-8-26-9-7-22)12-19-27(24,25)17-5-3-4-15(11-17)14(2)23/h3-5,10-11,19H,6-9,12H2,1-2H3
InChIKeyDPUMNNHTUVICJF-UHFFFAOYSA-N
XLogP1.30
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-acetyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122326167
4-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 91967537
1-[3-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 122340119
3-chloro-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352331
3-fluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352741
3-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122353860
4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 72718397
4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122319182
3-acetyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 122288188
N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(3-methylphenyl)acetamide
CID 122353695
1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylurea
CID 91967530
4-ethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352319

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide (CID 122353831) is 3-acetyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NCc2cc(C)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 3-acetyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is DPUMNNHTUVICJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-13-10-16(21-18(20-13)22-6-8-26-9-7-22)12-19-27(24,25)17-5-3-4-15(11-17)14(2)23/h3-5,10-11,19H,6-9,12H2,1-2H3.
What are the key properties of 3-acetyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
3-acetyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 390.47 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 122353831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).