N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-(2-methylpropyl)oxamide

C20H25N3O5S — CID 9156975

IUPACN'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-(2-methylpropyl)oxamide
SMILESCOc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NCC(C)C)c2cccnc2)cc1
InChIInChI=1S/C20H25N3O5S/c1-14(2)11-22-19(24)20(25)23-13-18(15-5-4-10-21-12-15)29(26,27)17-8-6-16(28-3)7-9-17/h4-10,12,14,18H,11,13H2,1-3H3,(H,22,24)(H,23,25)/t18-/m1/s1
InChIKeyCZHUNXVAAGLRTK-GOSISDBHSA-N
MW419.50 g/mol
LogP1.49
Rot. Bonds8

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

N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-(2-methylpropyl)oxamide (PubChem CID 9156975) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-(2-methylpropyl)oxamide
PubChem CID9156975
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC NameN'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-(2-methylpropyl)oxamide
SMILESCOc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NCC(C)C)c2cccnc2)cc1
InChIInChI=1S/C20H25N3O5S/c1-14(2)11-22-19(24)20(25)23-13-18(15-5-4-10-21-12-15)29(26,27)17-8-6-16(28-3)7-9-17/h4-10,12,14,18H,11,13H2,1-3H3,(H,22,24)(H,23,25)/t18-/m1/s1
InChIKeyCZHUNXVAAGLRTK-GOSISDBHSA-N
XLogP1.49
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9156623
N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-propyloxamide
CID 9156929
N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide
CID 9156766
4-fluoro-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9156809
4-bromo-N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 42272378
2-(4-methoxyphenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 40794316
N-(2-methylpropyl)-N'-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9152743
N-(2-methoxyethyl)-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155285
N-ethyl-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155037
N-methyl-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155029
2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethanamine;dihydrochloride
CID 20982708
N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzamide
CID 38997861

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-(2-methylpropyl)oxamide?
The IUPAC name of N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-(2-methylpropyl)oxamide (CID 9156975) is N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-(2-methylpropyl)oxamide.
What is the SMILES notation for N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-(2-methylpropyl)oxamide?
The canonical SMILES for N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-(2-methylpropyl)oxamide is COc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NCC(C)C)c2cccnc2)cc1.
What is the InChIKey of N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-(2-methylpropyl)oxamide?
The InChIKey is CZHUNXVAAGLRTK-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-14(2)11-22-19(24)20(25)23-13-18(15-5-4-10-21-12-15)29(26,27)17-8-6-16(28-3)7-9-17/h4-10,12,14,18H,11,13H2,1-3H3,(H,22,24)(H,23,25)/t18-/m1/s1.
What are the key properties of N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-(2-methylpropyl)oxamide?
N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-(2-methylpropyl)oxamide has a molecular weight of 419.50 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-(2-methylpropyl)oxamide is sourced from PubChem (CID 9156975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).