4-[[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-(pyridin-3-ylmethyl)sulfamoyl]benzamide

C19H24N4O5S — CID 170383838

IUPAC4-[[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-(pyridin-3-ylmethyl)sulfamoyl]benzamide
SMILESCC(C)C[C@H](C(=O)NO)N(Cc1cccnc1)S(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C19H24N4O5S/c1-13(2)10-17(19(25)22-26)23(12-14-4-3-9-21-11-14)29(27,28)16-7-5-15(6-8-16)18(20)24/h3-9,11,13,17,26H,10,12H2,1-2H3,(H2,20,24)(H,22,25)/t17-/m1/s1
InChIKeyAZLAJKYFJAEOQX-QGZVFWFLSA-N
MW420.49 g/mol
LogP1.29
Rot. Bonds9

About 4-[[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-(pyridin-3-ylmethyl)sulfamoyl]benzamide

4-[[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-(pyridin-3-ylmethyl)sulfamoyl]benzamide (PubChem CID 170383838) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is 4-[[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-(pyridin-3-ylmethyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-[[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-(pyridin-3-ylmethyl)sulfamoyl]benzamide
PubChem CID170383838
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC Name4-[[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-(pyridin-3-ylmethyl)sulfamoyl]benzamide
SMILESCC(C)C[C@H](C(=O)NO)N(Cc1cccnc1)S(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C19H24N4O5S/c1-13(2)10-17(19(25)22-26)23(12-14-4-3-9-21-11-14)29(27,28)16-7-5-15(6-8-16)18(20)24/h3-9,11,13,17,26H,10,12H2,1-2H3,(H2,20,24)(H,22,25)/t17-/m1/s1
InChIKeyAZLAJKYFJAEOQX-QGZVFWFLSA-N
XLogP1.29
TPSA142.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-4-methylpentanamide
CID 170380866
(2R)-N-hydroxy-2-[[4-(methanesulfonamido)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-4-methylpentanamide
CID 170383532
(2R)-2-[[4-(methanesulfonamido)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-4-methylpentanoic acid
CID 169003191
(2R)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide
CID 91799153
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]propanamide
CID 89137426
(2S)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pentanamide
CID 177375287
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-phenylpropanamide
CID 170380842
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-4,4-dimethylpentanamide
CID 10526209
(2R)-4-fluoro-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pent-4-enamide
CID 71465371
(2R)-2-[(4-ethoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide;hydrochloride
CID 22856296
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide;hydrochloride
CID 22907040
N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-2-phenylacetamide
CID 170382376

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-(pyridin-3-ylmethyl)sulfamoyl]benzamide?
The IUPAC name of 4-[[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-(pyridin-3-ylmethyl)sulfamoyl]benzamide (CID 170383838) is 4-[[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-(pyridin-3-ylmethyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-[[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-(pyridin-3-ylmethyl)sulfamoyl]benzamide?
The canonical SMILES for 4-[[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-(pyridin-3-ylmethyl)sulfamoyl]benzamide is CC(C)C[C@H](C(=O)NO)N(Cc1cccnc1)S(=O)(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-(pyridin-3-ylmethyl)sulfamoyl]benzamide?
The InChIKey is AZLAJKYFJAEOQX-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N4O5S/c1-13(2)10-17(19(25)22-26)23(12-14-4-3-9-21-11-14)29(27,28)16-7-5-15(6-8-16)18(20)24/h3-9,11,13,17,26H,10,12H2,1-2H3,(H2,20,24)(H,22,25)/t17-/m1/s1.
What are the key properties of 4-[[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-(pyridin-3-ylmethyl)sulfamoyl]benzamide?
4-[[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-(pyridin-3-ylmethyl)sulfamoyl]benzamide has a molecular weight of 420.49 g/mol, XLogP of 1.29, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-(pyridin-3-ylmethyl)sulfamoyl]benzamide is sourced from PubChem (CID 170383838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).