N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]-4-methylpentanamide

C19H25N3O5S — CID 22907097

IUPACN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]-4-methylpentanamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccn2)C(CC(C)C)C(=O)NO)cc1
InChIInChI=1S/C19H25N3O5S/c1-14(2)12-18(19(23)21-24)22(13-15-6-4-5-11-20-15)28(25,26)17-9-7-16(27-3)8-10-17/h4-11,14,18,24H,12-13H2,1-3H3,(H,21,23)
InChIKeyUYFFUIVYRNCEPG-UHFFFAOYSA-N
MW407.49 g/mol
LogP2.20
Rot. Bonds9

About N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]-4-methylpentanamide

N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]-4-methylpentanamide (PubChem CID 22907097) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]-4-methylpentanamide.

Molecular Properties

Compound NameN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]-4-methylpentanamide
PubChem CID22907097
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC NameN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]-4-methylpentanamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccn2)C(CC(C)C)C(=O)NO)cc1
InChIInChI=1S/C19H25N3O5S/c1-14(2)12-18(19(23)21-24)22(13-15-6-4-5-11-20-15)28(25,26)17-9-7-16(27-3)8-10-17/h4-11,14,18,24H,12-13H2,1-3H3,(H,21,23)
InChIKeyUYFFUIVYRNCEPG-UHFFFAOYSA-N
XLogP2.20
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 52.20
H-Bond Donors ≤ 52
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'}

Analyze N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]-4-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetamide
CID 10760373
2-[(6-chloro-1,3-benzodioxol-5-yl)methyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-methylpentanamide
CID 22907176
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid
CID 22907064
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-phenylpropanamide
CID 170380842
tert-butyl N-[1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-N-(4-methoxyphenyl)sulfonylcarbamate
CID 10597997
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4,4-dimethylpentanamide
CID 10645799
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide
CID 10594938
N-(2-hydroxyphenyl)-4-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 108781422
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]propanamide
CID 89137426
(2S)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-4-methylpentanamide
CID 170380866
(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]-4,4-dimethylpentanamide
CID 10526209

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]-4-methylpentanamide?
The IUPAC name of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]-4-methylpentanamide (CID 22907097) is N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]-4-methylpentanamide.
What is the SMILES notation for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]-4-methylpentanamide?
The canonical SMILES for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]-4-methylpentanamide is COc1ccc(S(=O)(=O)N(Cc2ccccn2)C(CC(C)C)C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]-4-methylpentanamide?
The InChIKey is UYFFUIVYRNCEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-14(2)12-18(19(23)21-24)22(13-15-6-4-5-11-20-15)28(25,26)17-9-7-16(27-3)8-10-17/h4-11,14,18,24H,12-13H2,1-3H3,(H,21,23).
What are the key properties of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]-4-methylpentanamide?
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]-4-methylpentanamide has a molecular weight of 407.49 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]-4-methylpentanamide is sourced from PubChem (CID 22907097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).