(2R)-N-hydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanamide

C22H32N2O5S — CID 57394730

IUPAC(2R)-N-hydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC(C)CCN([C@H](COC(C)(C)C)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H32N2O5S/c1-16(2)12-13-24(20(21(25)23-26)15-29-22(3,4)5)30(27,28)19-11-10-17-8-6-7-9-18(17)14-19/h6-11,14,16,20,26H,12-13,15H2,1-5H3,(H,23,25)/t20-/m1/s1
InChIKeyPHVICSOQJHYLEW-HXUWFJFHSA-N
MW436.57 g/mol
LogP3.57
Rot. Bonds9

About (2R)-N-hydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanamide

(2R)-N-hydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanamide (PubChem CID 57394730) has the molecular formula C22H32N2O5S and a molecular weight of 436.57 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanamide
PubChem CID57394730
Molecular FormulaC22H32N2O5S
Molecular Weight436.57 g/mol
Exact Mass436.20
IUPAC Name(2R)-N-hydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC(C)CCN([C@H](COC(C)(C)C)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H32N2O5S/c1-16(2)12-13-24(20(21(25)23-26)15-29-22(3,4)5)30(27,28)19-11-10-17-8-6-7-9-18(17)14-19/h6-11,14,16,20,26H,12-13,15H2,1-5H3,(H,23,25)/t20-/m1/s1
InChIKeyPHVICSOQJHYLEW-HXUWFJFHSA-N
XLogP3.57
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.57
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanamide?
The IUPAC name of (2R)-N-hydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanamide (CID 57394730) is (2R)-N-hydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanamide.
What is the SMILES notation for (2R)-N-hydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanamide?
The canonical SMILES for (2R)-N-hydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanamide is CC(C)CCN([C@H](COC(C)(C)C)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-N-hydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanamide?
The InChIKey is PHVICSOQJHYLEW-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H32N2O5S/c1-16(2)12-13-24(20(21(25)23-26)15-29-22(3,4)5)30(27,28)19-11-10-17-8-6-7-9-18(17)14-19/h6-11,14,16,20,26H,12-13,15H2,1-5H3,(H,23,25)/t20-/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanamide?
(2R)-N-hydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanamide has a molecular weight of 436.57 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanamide is sourced from PubChem (CID 57394730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).