N-methyl-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide

C17H19N3O4S — CID 9155029

IUPACN-methyl-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
SMILESCNC(=O)C(=O)NC[C@H](c1cccnc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H19N3O4S/c1-12-5-7-14(8-6-12)25(23,24)15(13-4-3-9-19-10-13)11-20-17(22)16(21)18-2/h3-10,15H,11H2,1-2H3,(H,18,21)(H,20,22)/t15-/m1/s1
InChIKeyIQXVXFFILJZTFG-OAHLLOKOSA-N
MW361.42 g/mol
LogP0.77
Rot. Bonds5

About N-methyl-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide

N-methyl-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide (PubChem CID 9155029) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-methyl-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide.

Molecular Properties

Compound NameN-methyl-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
PubChem CID9155029
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-methyl-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
SMILESCNC(=O)C(=O)NC[C@H](c1cccnc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H19N3O4S/c1-12-5-7-14(8-6-12)25(23,24)15(13-4-3-9-19-10-13)11-20-17(22)16(21)18-2/h3-10,15H,11H2,1-2H3,(H,18,21)(H,20,22)/t15-/m1/s1
InChIKeyIQXVXFFILJZTFG-OAHLLOKOSA-N
XLogP0.77
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155037
N'-[(2R)-butan-2-yl]-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155188
N-(2-methoxyethyl)-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155285
N-(3-methoxypropyl)-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155308
3-chloro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]propanamide
CID 9154652
N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide
CID 9154878
N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide
CID 9156766
2-(4-methoxyphenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 40794316
N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-(2-methylpropyl)oxamide
CID 9156975
N'-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N-methyloxamide
CID 9185098
N'-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide
CID 9158051
2-(4-chlorophenoxy)-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 40794323

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide?
The IUPAC name of N-methyl-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide (CID 9155029) is N-methyl-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide.
What is the SMILES notation for N-methyl-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide?
The canonical SMILES for N-methyl-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide is CNC(=O)C(=O)NC[C@H](c1cccnc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-methyl-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide?
The InChIKey is IQXVXFFILJZTFG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-12-5-7-14(8-6-12)25(23,24)15(13-4-3-9-19-10-13)11-20-17(22)16(21)18-2/h3-10,15H,11H2,1-2H3,(H,18,21)(H,20,22)/t15-/m1/s1.
What are the key properties of N-methyl-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide?
N-methyl-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide has a molecular weight of 361.42 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide is sourced from PubChem (CID 9155029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).