methyl 5-[[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-2-methoxypyridine-3-carboxylate

C18H20ClN3O6S — CID 100784746

IUPACmethyl 5-[[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-2-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1cc(NC(=O)C(C)(C)NS(=O)(=O)c2ccc(Cl)cc2)cnc1OC
InChIInChI=1S/C18H20ClN3O6S/c1-18(2,22-29(25,26)13-7-5-11(19)6-8-13)17(24)21-12-9-14(16(23)28-4)15(27-3)20-10-12/h5-10,22H,1-4H3,(H,21,24)
InChIKeyFJRUZAWLOMVUAD-UHFFFAOYSA-N
MW441.89 g/mol
LogP2.23
Rot. Bonds7

About methyl 5-[[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-2-methoxypyridine-3-carboxylate

methyl 5-[[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-2-methoxypyridine-3-carboxylate (PubChem CID 100784746) has the molecular formula C18H20ClN3O6S and a molecular weight of 441.89 g/mol. Its IUPAC name is methyl 5-[[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-2-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-2-methoxypyridine-3-carboxylate
PubChem CID100784746
Molecular FormulaC18H20ClN3O6S
Molecular Weight441.89 g/mol
Exact Mass441.08
IUPAC Namemethyl 5-[[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-2-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1cc(NC(=O)C(C)(C)NS(=O)(=O)c2ccc(Cl)cc2)cnc1OC
InChIInChI=1S/C18H20ClN3O6S/c1-18(2,22-29(25,26)13-7-5-11(19)6-8-13)17(24)21-12-9-14(16(23)28-4)15(27-3)20-10-12/h5-10,22H,1-4H3,(H,21,24)
InChIKeyFJRUZAWLOMVUAD-UHFFFAOYSA-N
XLogP2.23
TPSA123.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.89
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-2-methoxypyridine-3-carboxylate with MolForge

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Related Compounds

methyl 5-[(2-cyano-2-methylpropanoyl)amino]-2-methoxypyridine-3-carboxylate
CID 100784803
methyl 5-[[2-(4-fluorophenyl)-2-(methanesulfonamido)propanoyl]amino]-2-methoxypyridine-3-carboxylate
CID 133167224
N-(2,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-2-methylpropanamide
CID 100784692
N-(4-chlorophenyl)-2-methoxy-5-[1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethenylamino]pyridine-3-sulfonamide
CID 166752299
methyl 2-methoxy-5-methylpyridine-3-carboxylate
CID 22678367
methyl 5-chloro-4-[(4-chlorophenyl)sulfonylamino]-2-methoxybenzoate
CID 19170724
2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methylpropanamide
CID 100518354
methyl 5-(4-chlorophenyl)-6-methoxypyridine-3-carboxylate
CID 175171201
methyl 5-[(6-chloro-3-pyridinyl)sulfamoyl]-2-methylbenzoate
CID 87814534
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
methyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 40715475
methyl 4-chloro-2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]benzoate
CID 39977655

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-2-methoxypyridine-3-carboxylate?
The IUPAC name of methyl 5-[[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-2-methoxypyridine-3-carboxylate (CID 100784746) is methyl 5-[[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-2-methoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-2-methoxypyridine-3-carboxylate?
The canonical SMILES for methyl 5-[[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-2-methoxypyridine-3-carboxylate is COC(=O)c1cc(NC(=O)C(C)(C)NS(=O)(=O)c2ccc(Cl)cc2)cnc1OC.
What is the InChIKey of methyl 5-[[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-2-methoxypyridine-3-carboxylate?
The InChIKey is FJRUZAWLOMVUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O6S/c1-18(2,22-29(25,26)13-7-5-11(19)6-8-13)17(24)21-12-9-14(16(23)28-4)15(27-3)20-10-12/h5-10,22H,1-4H3,(H,21,24).
What are the key properties of methyl 5-[[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-2-methoxypyridine-3-carboxylate?
methyl 5-[[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-2-methoxypyridine-3-carboxylate has a molecular weight of 441.89 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-2-methoxypyridine-3-carboxylate is sourced from PubChem (CID 100784746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).