(2R)-N-hydroxy-2-[[4-(methanesulfonamido)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-4-methylpentanamide

C19H26N4O6S2 — CID 170383532

IUPAC(2R)-N-hydroxy-2-[[4-(methanesulfonamido)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-4-methylpentanamide
SMILESCC(C)C[C@H](C(=O)NO)N(Cc1cccnc1)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C19H26N4O6S2/c1-14(2)11-18(19(24)21-25)23(13-15-5-4-10-20-12-15)31(28,29)17-8-6-16(7-9-17)22-30(3,26)27/h4-10,12,14,18,22,25H,11,13H2,1-3H3,(H,21,24)/t18-/m1/s1
InChIKeyPPLFLXVJWFCOED-GOSISDBHSA-N
MW470.57 g/mol
LogP1.56
Rot. Bonds10

About (2R)-N-hydroxy-2-[[4-(methanesulfonamido)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-4-methylpentanamide

(2R)-N-hydroxy-2-[[4-(methanesulfonamido)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-4-methylpentanamide (PubChem CID 170383532) has the molecular formula C19H26N4O6S2 and a molecular weight of 470.57 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-[[4-(methanesulfonamido)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-[[4-(methanesulfonamido)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-4-methylpentanamide
PubChem CID170383532
Molecular FormulaC19H26N4O6S2
Molecular Weight470.57 g/mol
Exact Mass470.13
IUPAC Name(2R)-N-hydroxy-2-[[4-(methanesulfonamido)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-4-methylpentanamide
SMILESCC(C)C[C@H](C(=O)NO)N(Cc1cccnc1)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C19H26N4O6S2/c1-14(2)11-18(19(24)21-25)23(13-15-5-4-10-20-12-15)31(28,29)17-8-6-16(7-9-17)22-30(3,26)27/h4-10,12,14,18,22,25H,11,13H2,1-3H3,(H,21,24)/t18-/m1/s1
InChIKeyPPLFLXVJWFCOED-GOSISDBHSA-N
XLogP1.56
TPSA145.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

(2R)-2-[[4-(methanesulfonamido)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-4-methylpentanoic acid
CID 169003191
(2S)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-4-methylpentanamide
CID 170380866
4-[[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-(pyridin-3-ylmethyl)sulfamoyl]benzamide
CID 170383838
(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 (2R)-N-hydroxy-2-[[4-(methanesulfonamido)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-4-methylpentanamide?
The IUPAC name of (2R)-N-hydroxy-2-[[4-(methanesulfonamido)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-4-methylpentanamide (CID 170383532) is (2R)-N-hydroxy-2-[[4-(methanesulfonamido)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-4-methylpentanamide.
What is the SMILES notation for (2R)-N-hydroxy-2-[[4-(methanesulfonamido)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-4-methylpentanamide?
The canonical SMILES for (2R)-N-hydroxy-2-[[4-(methanesulfonamido)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-4-methylpentanamide is CC(C)C[C@H](C(=O)NO)N(Cc1cccnc1)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of (2R)-N-hydroxy-2-[[4-(methanesulfonamido)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-4-methylpentanamide?
The InChIKey is PPLFLXVJWFCOED-GOSISDBHSA-N. The full InChI is InChI=1S/C19H26N4O6S2/c1-14(2)11-18(19(24)21-25)23(13-15-5-4-10-20-12-15)31(28,29)17-8-6-16(7-9-17)22-30(3,26)27/h4-10,12,14,18,22,25H,11,13H2,1-3H3,(H,21,24)/t18-/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-[[4-(methanesulfonamido)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-4-methylpentanamide?
(2R)-N-hydroxy-2-[[4-(methanesulfonamido)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-4-methylpentanamide has a molecular weight of 470.57 g/mol, XLogP of 1.56, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-2-[[4-(methanesulfonamido)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-4-methylpentanamide is sourced from PubChem (CID 170383532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).