4-methoxy-N-[5-(2-methoxyethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide

C17H23N3O4S — CID 113025121

IUPAC4-methoxy-N-[5-(2-methoxyethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
SMILESCOCCNc1ccc(NS(=O)(=O)c2cc(C)c(OC)cc2C)nc1
InChIInChI=1S/C17H23N3O4S/c1-12-10-16(13(2)9-15(12)24-4)25(21,22)20-17-6-5-14(11-19-17)18-7-8-23-3/h5-6,9-11,18H,7-8H2,1-4H3,(H,19,20)
InChIKeyMDCHGQKBXZKJEN-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.57
Rot. Bonds8

About 4-methoxy-N-[5-(2-methoxyethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide

4-methoxy-N-[5-(2-methoxyethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 113025121) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 4-methoxy-N-[5-(2-methoxyethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[5-(2-methoxyethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
PubChem CID113025121
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name4-methoxy-N-[5-(2-methoxyethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
SMILESCOCCNc1ccc(NS(=O)(=O)c2cc(C)c(OC)cc2C)nc1
InChIInChI=1S/C17H23N3O4S/c1-12-10-16(13(2)9-15(12)24-4)25(21,22)20-17-6-5-14(11-19-17)18-7-8-23-3/h5-6,9-11,18H,7-8H2,1-4H3,(H,19,20)
InChIKeyMDCHGQKBXZKJEN-UHFFFAOYSA-N
XLogP2.57
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113025801
4-methoxy-N-[4-(3-methoxypropylamino)phenyl]-2,5-dimethylbenzenesulfonamide
CID 112981124
4-methoxy-N-[6-(2-methoxyethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 113010409
N-[5-(2-methoxyethylamino)-2-pyridinyl]methanesulfonamide
CID 113025091
2-methoxy-4,5-dimethyl-N-[5-(2-methylpropylamino)-2-pyridinyl]benzenesulfonamide
CID 113024189
4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
CID 15943934
4-methoxy-2,5-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024403
N-(2-ethoxypyrimidin-5-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 122301894
N-[6-(dipropylamino)-3-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113015764
4-methoxy-2,5-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113025908
2-methoxy-4,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027719
4-fluoro-N-[6-(2-methoxyethylamino)-3-pyridinyl]-3-methylbenzenesulfonamide
CID 113010405

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[5-(2-methoxyethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-[5-(2-methoxyethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide (CID 113025121) is 4-methoxy-N-[5-(2-methoxyethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[5-(2-methoxyethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[5-(2-methoxyethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide is COCCNc1ccc(NS(=O)(=O)c2cc(C)c(OC)cc2C)nc1.
What is the InChIKey of 4-methoxy-N-[5-(2-methoxyethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is MDCHGQKBXZKJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-12-10-16(13(2)9-15(12)24-4)25(21,22)20-17-6-5-14(11-19-17)18-7-8-23-3/h5-6,9-11,18H,7-8H2,1-4H3,(H,19,20).
What are the key properties of 4-methoxy-N-[5-(2-methoxyethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide?
4-methoxy-N-[5-(2-methoxyethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 365.46 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[5-(2-methoxyethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 113025121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).