(2R)-2-[(6-ethylnaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide

C22H32N2O4S — CID 57398195

IUPAC(2R)-2-[(6-ethylnaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide
SMILESCCc1ccc2cc(S(=O)(=O)N(CCC(C)C)[C@@H](C(=O)NO)C(C)C)ccc2c1
InChIInChI=1S/C22H32N2O4S/c1-6-17-7-8-19-14-20(10-9-18(19)13-17)29(27,28)24(12-11-15(2)3)21(16(4)5)22(25)23-26/h7-10,13-16,21,26H,6,11-12H2,1-5H3,(H,23,25)/t21-/m1/s1
InChIKeyUXOSVQFKXFZCKF-OAQYLSRUSA-N
MW420.58 g/mol
LogP3.97
Rot. Bonds9

About (2R)-2-[(6-ethylnaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide

(2R)-2-[(6-ethylnaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide (PubChem CID 57398195) has the molecular formula C22H32N2O4S and a molecular weight of 420.58 g/mol. Its IUPAC name is (2R)-2-[(6-ethylnaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-[(6-ethylnaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide
PubChem CID57398195
Molecular FormulaC22H32N2O4S
Molecular Weight420.58 g/mol
Exact Mass420.21
IUPAC Name(2R)-2-[(6-ethylnaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide
SMILESCCc1ccc2cc(S(=O)(=O)N(CCC(C)C)[C@@H](C(=O)NO)C(C)C)ccc2c1
InChIInChI=1S/C22H32N2O4S/c1-6-17-7-8-19-14-20(10-9-18(19)13-17)29(27,28)24(12-11-15(2)3)21(16(4)5)22(25)23-26/h7-10,13-16,21,26H,6,11-12H2,1-5H3,(H,23,25)/t21-/m1/s1
InChIKeyUXOSVQFKXFZCKF-OAQYLSRUSA-N
XLogP3.97
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(6-ethylnaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide?
The IUPAC name of (2R)-2-[(6-ethylnaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide (CID 57398195) is (2R)-2-[(6-ethylnaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for (2R)-2-[(6-ethylnaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for (2R)-2-[(6-ethylnaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide is CCc1ccc2cc(S(=O)(=O)N(CCC(C)C)[C@@H](C(=O)NO)C(C)C)ccc2c1.
What is the InChIKey of (2R)-2-[(6-ethylnaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide?
The InChIKey is UXOSVQFKXFZCKF-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H32N2O4S/c1-6-17-7-8-19-14-20(10-9-18(19)13-17)29(27,28)24(12-11-15(2)3)21(16(4)5)22(25)23-26/h7-10,13-16,21,26H,6,11-12H2,1-5H3,(H,23,25)/t21-/m1/s1.
What are the key properties of (2R)-2-[(6-ethylnaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide?
(2R)-2-[(6-ethylnaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide has a molecular weight of 420.58 g/mol, XLogP of 3.97, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-ethylnaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 57398195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).