3-[[(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl]amino]-N-(pyridin-2-ylmethyl)benzamide

C21H23N5O5S — CID 55965284

IUPAC3-[[(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl]amino]-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1cccc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C21H23N5O5S/c1-13-19(15(3)31-25-13)32(29,30)26-14(2)20(27)24-17-9-6-7-16(11-17)21(28)23-12-18-8-4-5-10-22-18/h4-11,14,26H,12H2,1-3H3,(H,23,28)(H,24,27)/t14-/m0/s1
InChIKeyAAFWDRVZFJADQB-AWEZNQCLSA-N
MW457.51 g/mol
LogP1.92
Rot. Bonds8

About 3-[[(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl]amino]-N-(pyridin-2-ylmethyl)benzamide

3-[[(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl]amino]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 55965284) has the molecular formula C21H23N5O5S and a molecular weight of 457.51 g/mol. Its IUPAC name is 3-[[(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl]amino]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl]amino]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID55965284
Molecular FormulaC21H23N5O5S
Molecular Weight457.51 g/mol
Exact Mass457.14
IUPAC Name3-[[(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl]amino]-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1cccc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C21H23N5O5S/c1-13-19(15(3)31-25-13)32(29,30)26-14(2)20(27)24-17-9-6-7-16(11-17)21(28)23-12-18-8-4-5-10-22-18/h4-11,14,26H,12H2,1-3H3,(H,23,28)(H,24,27)/t14-/m0/s1
InChIKeyAAFWDRVZFJADQB-AWEZNQCLSA-N
XLogP1.92
TPSA143.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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3,5-dimethyl-N-[(2S)-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]propan-2-yl]-1,2-oxazole-4-sulfonamide
CID 36838227
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethylbenzamide
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2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)propanamide
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4-methoxy-3-(methylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
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N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17297031
N-[1-oxo-3-phenyl-1-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide
CID 60555253
(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2S)-2-phenylbutyl]propanamide
CID 51925027
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl]amino]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-[[(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl]amino]-N-(pyridin-2-ylmethyl)benzamide (CID 55965284) is 3-[[(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl]amino]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl]amino]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl]amino]-N-(pyridin-2-ylmethyl)benzamide is Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1cccc(C(=O)NCc2ccccn2)c1.
What is the InChIKey of 3-[[(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl]amino]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is AAFWDRVZFJADQB-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H23N5O5S/c1-13-19(15(3)31-25-13)32(29,30)26-14(2)20(27)24-17-9-6-7-16(11-17)21(28)23-12-18-8-4-5-10-22-18/h4-11,14,26H,12H2,1-3H3,(H,23,28)(H,24,27)/t14-/m0/s1.
What are the key properties of 3-[[(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl]amino]-N-(pyridin-2-ylmethyl)benzamide?
3-[[(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl]amino]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 457.51 g/mol, XLogP of 1.92, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl]amino]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 55965284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).