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

C19H23N3O5S — CID 9156929

IUPACN'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-propyloxamide
SMILESCCCNC(=O)C(=O)NC[C@H](c1cccnc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H23N3O5S/c1-3-10-21-18(23)19(24)22-13-17(14-5-4-11-20-12-14)28(25,26)16-8-6-15(27-2)7-9-16/h4-9,11-12,17H,3,10,13H2,1-2H3,(H,21,23)(H,22,24)/t17-/m1/s1
InChIKeyWMZZQLOCLUKPCT-QGZVFWFLSA-N
MW405.48 g/mol
LogP1.25
Rot. Bonds8

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

N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-propyloxamide (PubChem CID 9156929) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-propyloxamide.

Molecular Properties

Compound NameN'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-propyloxamide
PubChem CID9156929
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC NameN'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-propyloxamide
SMILESCCCNC(=O)C(=O)NC[C@H](c1cccnc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H23N3O5S/c1-3-10-21-18(23)19(24)22-13-17(14-5-4-11-20-12-14)28(25,26)16-8-6-15(27-2)7-9-16/h4-9,11-12,17H,3,10,13H2,1-2H3,(H,21,23)(H,22,24)/t17-/m1/s1
InChIKeyWMZZQLOCLUKPCT-QGZVFWFLSA-N
XLogP1.25
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 51.25
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]-N-(2-methylpropyl)oxamide
CID 9156975
N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9156623
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
N-(2-methoxyethyl)-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155285
2-(4-methoxyphenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 40794316
N-(3-methoxypropyl)-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155308
N-ethyl-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155037
N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 9156583
N-methyl-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155029
2-[[2-[[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium
CID 9154426

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-propyloxamide?
The IUPAC name of N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-propyloxamide (CID 9156929) is N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-propyloxamide.
What is the SMILES notation for N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-propyloxamide?
The canonical SMILES for N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-propyloxamide is CCCNC(=O)C(=O)NC[C@H](c1cccnc1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-propyloxamide?
The InChIKey is WMZZQLOCLUKPCT-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-3-10-21-18(23)19(24)22-13-17(14-5-4-11-20-12-14)28(25,26)16-8-6-15(27-2)7-9-16/h4-9,11-12,17H,3,10,13H2,1-2H3,(H,21,23)(H,22,24)/t17-/m1/s1.
What are the key properties of N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-propyloxamide?
N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-propyloxamide has a molecular weight of 405.48 g/mol, XLogP of 1.25, 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-propyloxamide is sourced from PubChem (CID 9156929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).