(2R)-2-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide

C18H28N2O5S — CID 57391136

IUPAC(2R)-2-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)CCN([C@@H](C(=O)NO)C(C)C)S(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H28N2O5S/c1-12(2)7-9-20(17(13(3)4)18(21)19-22)26(23,24)15-5-6-16-14(11-15)8-10-25-16/h5-6,11-13,17,22H,7-10H2,1-4H3,(H,19,21)/t17-/m1/s1
InChIKeyOOUAVDQEGOBVOR-QGZVFWFLSA-N
MW384.50 g/mol
LogP2.19
Rot. Bonds8

About (2R)-2-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide

(2R)-2-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide (PubChem CID 57391136) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is (2R)-2-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide
PubChem CID57391136
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC Name(2R)-2-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)CCN([C@@H](C(=O)NO)C(C)C)S(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H28N2O5S/c1-12(2)7-9-20(17(13(3)4)18(21)19-22)26(23,24)15-5-6-16-14(11-15)8-10-25-16/h5-6,11-13,17,22H,7-10H2,1-4H3,(H,19,21)/t17-/m1/s1
InChIKeyOOUAVDQEGOBVOR-QGZVFWFLSA-N
XLogP2.19
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.19
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)-2-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide?
The IUPAC name of (2R)-2-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide (CID 57391136) is (2R)-2-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for (2R)-2-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for (2R)-2-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide is CC(C)CCN([C@@H](C(=O)NO)C(C)C)S(=O)(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of (2R)-2-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide?
The InChIKey is OOUAVDQEGOBVOR-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-12(2)7-9-20(17(13(3)4)18(21)19-22)26(23,24)15-5-6-16-14(11-15)8-10-25-16/h5-6,11-13,17,22H,7-10H2,1-4H3,(H,19,21)/t17-/m1/s1.
What are the key properties of (2R)-2-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide?
(2R)-2-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide has a molecular weight of 384.50 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 57391136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).