2-methoxy-5-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]benzamide

C19H26N6O4S — CID 122294038

IUPAC2-methoxy-5-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NCCNc2cc(N3CCCC3)nc(C)n2)cc1C(N)=O
InChIInChI=1S/C19H26N6O4S/c1-13-23-17(12-18(24-13)25-9-3-4-10-25)21-7-8-22-30(27,28)14-5-6-16(29-2)15(11-14)19(20)26/h5-6,11-12,22H,3-4,7-10H2,1-2H3,(H2,20,26)(H,21,23,24)
InChIKeyAMIOYGKGGXRPQJ-UHFFFAOYSA-N
MW434.52 g/mol
LogP0.88
Rot. Bonds9

About 2-methoxy-5-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]benzamide

2-methoxy-5-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]benzamide (PubChem CID 122294038) has the molecular formula C19H26N6O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-methoxy-5-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]benzamide.

Molecular Properties

Compound Name2-methoxy-5-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]benzamide
PubChem CID122294038
Molecular FormulaC19H26N6O4S
Molecular Weight434.52 g/mol
Exact Mass434.17
IUPAC Name2-methoxy-5-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NCCNc2cc(N3CCCC3)nc(C)n2)cc1C(N)=O
InChIInChI=1S/C19H26N6O4S/c1-13-23-17(12-18(24-13)25-9-3-4-10-25)21-7-8-22-30(27,28)14-5-6-16(29-2)15(11-14)19(20)26/h5-6,11-12,22H,3-4,7-10H2,1-2H3,(H2,20,26)(H,21,23,24)
InChIKeyAMIOYGKGGXRPQJ-UHFFFAOYSA-N
XLogP0.88
TPSA139.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122294053
2-methoxy-5-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethylsulfamoyl]benzamide
CID 122315706
2-methoxy-5-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]benzamide
CID 122327373
2-methoxy-5-(3-pyrrolidin-1-ylpropylsulfamoyl)benzamide
CID 53499321
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-4-phenoxybenzenesulfonamide
CID 121074870
N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-4-phenoxybenzenesulfonamide
CID 122326376
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 122294028
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 122294021
4-methoxy-3-methyl-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 121074767
5-bromo-2-ethoxy-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122326681
2-bromo-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122326649
5-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonyl-2-methoxybenzamide
CID 122340441

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]benzamide?
The IUPAC name of 2-methoxy-5-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]benzamide (CID 122294038) is 2-methoxy-5-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]benzamide.
What is the SMILES notation for 2-methoxy-5-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]benzamide?
The canonical SMILES for 2-methoxy-5-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]benzamide is COc1ccc(S(=O)(=O)NCCNc2cc(N3CCCC3)nc(C)n2)cc1C(N)=O.
What is the InChIKey of 2-methoxy-5-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]benzamide?
The InChIKey is AMIOYGKGGXRPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O4S/c1-13-23-17(12-18(24-13)25-9-3-4-10-25)21-7-8-22-30(27,28)14-5-6-16(29-2)15(11-14)19(20)26/h5-6,11-12,22H,3-4,7-10H2,1-2H3,(H2,20,26)(H,21,23,24).
What are the key properties of 2-methoxy-5-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]benzamide?
2-methoxy-5-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]benzamide has a molecular weight of 434.52 g/mol, XLogP of 0.88, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]benzamide is sourced from PubChem (CID 122294038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).