2-methoxy-5-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide

C18H25N5O4S — CID 122327866

IUPAC2-methoxy-5-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCNc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C18H25N5O4S/c1-14-3-4-15(26-2)16(11-14)28(24,25)22-6-5-19-17-12-18(21-13-20-17)23-7-9-27-10-8-23/h3-4,11-13,22H,5-10H2,1-2H3,(H,19,20,21)
InChIKeyLOUSOASRTDHSKI-UHFFFAOYSA-N
MW407.50 g/mol
LogP1.02
Rot. Bonds8

About 2-methoxy-5-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide

2-methoxy-5-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide (PubChem CID 122327866) has the molecular formula C18H25N5O4S and a molecular weight of 407.50 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
PubChem CID122327866
Molecular FormulaC18H25N5O4S
Molecular Weight407.50 g/mol
Exact Mass407.16
IUPAC Name2-methoxy-5-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCNc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C18H25N5O4S/c1-14-3-4-15(26-2)16(11-14)28(24,25)22-6-5-19-17-12-18(21-13-20-17)23-7-9-27-10-8-23/h3-4,11-13,22H,5-10H2,1-2H3,(H,19,20,21)
InChIKeyLOUSOASRTDHSKI-UHFFFAOYSA-N
XLogP1.02
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 51.02
H-Bond Donors ≤ 52
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-4-methoxy-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122328127
2,4-dimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 70702502
2-methoxy-5-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 121075469
2-methoxy-5-methyl-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
CID 113039734
2-methoxy-5-methyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122255042
N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 122328125
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122328122
2,5-dimethoxy-N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122308110
5-fluoro-2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 122328448
2-methoxy-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122294053
2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 122328514
N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-methoxybenzenesulfonamide
CID 122328888

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide (CID 122327866) is 2-methoxy-5-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NCCNc1cc(N2CCOCC2)ncn1.
What is the InChIKey of 2-methoxy-5-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is LOUSOASRTDHSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4S/c1-14-3-4-15(26-2)16(11-14)28(24,25)22-6-5-19-17-12-18(21-13-20-17)23-7-9-27-10-8-23/h3-4,11-13,22H,5-10H2,1-2H3,(H,19,20,21).
What are the key properties of 2-methoxy-5-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide?
2-methoxy-5-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 407.50 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 122327866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).