(2R)-N-hydroxy-3-methyl-2-[(4-nitrophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide

C17H20N4O6S — CID 10364088

IUPAC(2R)-N-hydroxy-3-methyl-2-[(4-nitrophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide
SMILESCC(C)[C@H](C(=O)NO)N(Cc1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H20N4O6S/c1-12(2)16(17(22)19-23)20(11-13-4-3-9-18-10-13)28(26,27)15-7-5-14(6-8-15)21(24)25/h3-10,12,16,23H,11H2,1-2H3,(H,19,22)/t16-/m1/s1
InChIKeyYJBLORWBSQLNFW-MRXNPFEDSA-N
MW408.44 g/mol
LogP1.71
Rot. Bonds8

About (2R)-N-hydroxy-3-methyl-2-[(4-nitrophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide

(2R)-N-hydroxy-3-methyl-2-[(4-nitrophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide (PubChem CID 10364088) has the molecular formula C17H20N4O6S and a molecular weight of 408.44 g/mol. Its IUPAC name is (2R)-N-hydroxy-3-methyl-2-[(4-nitrophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-3-methyl-2-[(4-nitrophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide
PubChem CID10364088
Molecular FormulaC17H20N4O6S
Molecular Weight408.44 g/mol
Exact Mass408.11
IUPAC Name(2R)-N-hydroxy-3-methyl-2-[(4-nitrophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide
SMILESCC(C)[C@H](C(=O)NO)N(Cc1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H20N4O6S/c1-12(2)16(17(22)19-23)20(11-13-4-3-9-18-10-13)28(26,27)15-7-5-14(6-8-15)21(24)25/h3-10,12,16,23H,11H2,1-2H3,(H,19,22)/t16-/m1/s1
InChIKeyYJBLORWBSQLNFW-MRXNPFEDSA-N
XLogP1.71
TPSA142.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-nitro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 714395
N-(4-{[(3-pyridinylmethyl)amino]sulfonyl}phenyl)acetamide
CID 538491
(2R)-N-hydroxy-3-methyl-2-[3-methylbutyl(quinolin-3-ylsulfonyl)amino]butanamide
CID 57392902
(2R)-N-hydroxy-3-methyl-2-[3-methylbutyl(quinolin-6-ylsulfonyl)amino]butanamide
CID 57396398
N~2~-[(4-Fluoro-3-Methylphenyl)sulfonyl]-N-Hydroxy-N~2~-(Pyridin-3-Ylmethyl)-D-Alaninamide
CID 86277897
2-[(2-Nitro-benzenesulfonyl)-phenyl-amino]-N-pyridin-3-yl-acetamide
CID 1105804
4-nitro-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 4911163
(R)-2-(4-fluorophenylsulphonamido-N-(pyridin-3-ylmethyl))-N-hydroxy-3-methylbutanamide
CID 9999879
(2R)-2-[[4-(dimethylamino)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide
CID 23657419
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylpentanamide
CID 24981082
N-Hydroxy-2-[(2-nitro-benzyl)-(quinoline-8-sulfonyl)-amino]-propionamide
CID 44312228
N-(2-morpholino-2-(pyridin-3-yl)ethyl)-4-nitrobenzenesulfonamide
CID 16188333

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-3-methyl-2-[(4-nitrophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide?
The IUPAC name of (2R)-N-hydroxy-3-methyl-2-[(4-nitrophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide (CID 10364088) is (2R)-N-hydroxy-3-methyl-2-[(4-nitrophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide.
What is the SMILES notation for (2R)-N-hydroxy-3-methyl-2-[(4-nitrophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide?
The canonical SMILES for (2R)-N-hydroxy-3-methyl-2-[(4-nitrophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide is CC(C)[C@H](C(=O)NO)N(Cc1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R)-N-hydroxy-3-methyl-2-[(4-nitrophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide?
The InChIKey is YJBLORWBSQLNFW-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20N4O6S/c1-12(2)16(17(22)19-23)20(11-13-4-3-9-18-10-13)28(26,27)15-7-5-14(6-8-15)21(24)25/h3-10,12,16,23H,11H2,1-2H3,(H,19,22)/t16-/m1/s1.
What are the key properties of (2R)-N-hydroxy-3-methyl-2-[(4-nitrophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide?
(2R)-N-hydroxy-3-methyl-2-[(4-nitrophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide has a molecular weight of 408.44 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-3-methyl-2-[(4-nitrophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide is sourced from PubChem (CID 10364088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).