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

C19H25N3O5S — CID 15296577

IUPAC(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]-4-methylpentanamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccn2)[C@H](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)/t18-/m1/s1
InChIKeyUYFFUIVYRNCEPG-GOSISDBHSA-N
MW407.49 g/mol
LogP2.20
Rot. Bonds9

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

(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]-4-methylpentanamide (PubChem CID 15296577) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]-4-methylpentanamide
PubChem CID15296577
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC Name(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]-4-methylpentanamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccn2)[C@H](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)/t18-/m1/s1
InChIKeyUYFFUIVYRNCEPG-GOSISDBHSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]-4-methylpentanamide?
The IUPAC name of (2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]-4-methylpentanamide (CID 15296577) is (2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]-4-methylpentanamide.
What is the SMILES notation for (2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]-4-methylpentanamide?
The canonical SMILES for (2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]-4-methylpentanamide is COc1ccc(S(=O)(=O)N(Cc2ccccn2)[C@H](CC(C)C)C(=O)NO)cc1.
What is the InChIKey of (2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]-4-methylpentanamide?
The InChIKey is UYFFUIVYRNCEPG-GOSISDBHSA-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)/t18-/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]-4-methylpentanamide?
(2R)-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 (2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]-4-methylpentanamide is sourced from PubChem (CID 15296577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).