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

C18H24N4O5S — CID 122319263

IUPAC2,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2nc(C)cc(N3CCOCC3)n2)c(OC)c1
InChIInChI=1S/C18H24N4O5S/c1-13-10-18(22-6-8-27-9-7-22)21-17(20-13)12-19-28(23,24)16-5-4-14(25-2)11-15(16)26-3/h4-5,10-11,19H,6-9,12H2,1-3H3
InChIKeyPFFRZHHGPRVYBY-UHFFFAOYSA-N
MW408.48 g/mol
LogP1.12
Rot. Bonds7

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

2,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide (PubChem CID 122319263) has the molecular formula C18H24N4O5S and a molecular weight of 408.48 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
PubChem CID122319263
Molecular FormulaC18H24N4O5S
Molecular Weight408.48 g/mol
Exact Mass408.15
IUPAC Name2,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2nc(C)cc(N3CCOCC3)n2)c(OC)c1
InChIInChI=1S/C18H24N4O5S/c1-13-10-18(22-6-8-27-9-7-22)21-17(20-13)12-19-28(23,24)16-5-4-14(25-2)11-15(16)26-3/h4-5,10-11,19H,6-9,12H2,1-3H3
InChIKeyPFFRZHHGPRVYBY-UHFFFAOYSA-N
XLogP1.12
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide
CID 91966940
4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122319182
2,4-dimethoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
CID 113039736
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 122319188
N-(2,4-dimethoxyphenyl)-4-methyl-6-morpholin-4-ylpyrimidin-2-amine
CID 112912177
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-3-nitrobenzenesulfonamide
CID 122319266
4-methoxy-3-methyl-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318146
4-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 27477893
2-methoxy-5-methyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122255042
1-methyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 122319238
3,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966844
1-(3-methoxyphenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea
CID 91966881

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide (CID 122319263) is 2,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2nc(C)cc(N3CCOCC3)n2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide?
The InChIKey is PFFRZHHGPRVYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5S/c1-13-10-18(22-6-8-27-9-7-22)21-17(20-13)12-19-28(23,24)16-5-4-14(25-2)11-15(16)26-3/h4-5,10-11,19H,6-9,12H2,1-3H3.
What are the key properties of 2,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide?
2,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide has a molecular weight of 408.48 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 122319263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).