2-[[amino-(2-oxo-1H-pyridin-3-yl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide

C19H23N5O6S — CID 136693013

IUPAC2-[[amino-(2-oxo-1H-pyridin-3-yl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)CON=C(N)c2ccc[nH]c2=O)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H23N5O6S/c1-13-4-5-14(11-16(13)31(27,28)24-7-9-29-10-8-24)22-17(25)12-30-23-18(20)15-3-2-6-21-19(15)26/h2-6,11H,7-10,12H2,1H3,(H2,20,23)(H,21,26)(H,22,25)
InChIKeyGXNVGMSOYYRJRH-UHFFFAOYSA-N
MW449.49 g/mol
LogP-0.02
Rot. Bonds7

About 2-[[amino-(2-oxo-1H-pyridin-3-yl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide

2-[[amino-(2-oxo-1H-pyridin-3-yl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 136693013) has the molecular formula C19H23N5O6S and a molecular weight of 449.49 g/mol. Its IUPAC name is 2-[[amino-(2-oxo-1H-pyridin-3-yl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[[amino-(2-oxo-1H-pyridin-3-yl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID136693013
Molecular FormulaC19H23N5O6S
Molecular Weight449.49 g/mol
Exact Mass449.14
IUPAC Name2-[[amino-(2-oxo-1H-pyridin-3-yl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)CON=C(N)c2ccc[nH]c2=O)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H23N5O6S/c1-13-4-5-14(11-16(13)31(27,28)24-7-9-29-10-8-24)22-17(25)12-30-23-18(20)15-3-2-6-21-19(15)26/h2-6,11H,7-10,12H2,1H3,(H2,20,23)(H,21,26)(H,22,25)
InChIKeyGXNVGMSOYYRJRH-UHFFFAOYSA-N
XLogP-0.02
TPSA156.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 51924820
[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 42962828
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylmethoxyacetamide
CID 55358424
1-O-methyl 4-O-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 41447276
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-1-yloxyacetamide
CID 26218315
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 16515870
2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 9100328
[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-pyrazol-1-ylbenzoate
CID 30967220
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528218
[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1H-pyrazole-5-carboxylate
CID 55645993
2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 55909628

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(2-oxo-1H-pyridin-3-yl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[[amino-(2-oxo-1H-pyridin-3-yl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide (CID 136693013) is 2-[[amino-(2-oxo-1H-pyridin-3-yl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[[amino-(2-oxo-1H-pyridin-3-yl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[[amino-(2-oxo-1H-pyridin-3-yl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide is Cc1ccc(NC(=O)CON=C(N)c2ccc[nH]c2=O)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-[[amino-(2-oxo-1H-pyridin-3-yl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is GXNVGMSOYYRJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O6S/c1-13-4-5-14(11-16(13)31(27,28)24-7-9-29-10-8-24)22-17(25)12-30-23-18(20)15-3-2-6-21-19(15)26/h2-6,11H,7-10,12H2,1H3,(H2,20,23)(H,21,26)(H,22,25).
What are the key properties of 2-[[amino-(2-oxo-1H-pyridin-3-yl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
2-[[amino-(2-oxo-1H-pyridin-3-yl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 449.49 g/mol, XLogP of -0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(2-oxo-1H-pyridin-3-yl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 136693013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).