(2R)-2-[2-(dimethylamino)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide

C19H27N3O4S — CID 57392993

IUPAC(2R)-2-[2-(dimethylamino)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)NO)N(CCN(C)C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H27N3O4S/c1-14(2)18(19(23)20-24)22(12-11-21(3)4)27(25,26)17-10-9-15-7-5-6-8-16(15)13-17/h5-10,13-14,18,24H,11-12H2,1-4H3,(H,20,23)/t18-/m1/s1
InChIKeyIVBBTZQIKSRCPC-GOSISDBHSA-N
MW393.51 g/mol
LogP1.92
Rot. Bonds8

About (2R)-2-[2-(dimethylamino)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide

(2R)-2-[2-(dimethylamino)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide (PubChem CID 57392993) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is (2R)-2-[2-(dimethylamino)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-[2-(dimethylamino)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide
PubChem CID57392993
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name(2R)-2-[2-(dimethylamino)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)NO)N(CCN(C)C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H27N3O4S/c1-14(2)18(19(23)20-24)22(12-11-21(3)4)27(25,26)17-10-9-15-7-5-6-8-16(15)13-17/h5-10,13-14,18,24H,11-12H2,1-4H3,(H,20,23)/t18-/m1/s1
InChIKeyIVBBTZQIKSRCPC-GOSISDBHSA-N
XLogP1.92
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.92
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-(dimethylamino)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide?
The IUPAC name of (2R)-2-[2-(dimethylamino)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide (CID 57392993) is (2R)-2-[2-(dimethylamino)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for (2R)-2-[2-(dimethylamino)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for (2R)-2-[2-(dimethylamino)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide is CC(C)[C@H](C(=O)NO)N(CCN(C)C)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-2-[2-(dimethylamino)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide?
The InChIKey is IVBBTZQIKSRCPC-GOSISDBHSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-14(2)18(19(23)20-24)22(12-11-21(3)4)27(25,26)17-10-9-15-7-5-6-8-16(15)13-17/h5-10,13-14,18,24H,11-12H2,1-4H3,(H,20,23)/t18-/m1/s1.
What are the key properties of (2R)-2-[2-(dimethylamino)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide?
(2R)-2-[2-(dimethylamino)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide has a molecular weight of 393.51 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(dimethylamino)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 57392993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).