(2R)-N-hydroxy-2-[(1-methoxynaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-3-methylbutanamide

C21H30N2O5S — CID 58256164

IUPAC(2R)-N-hydroxy-2-[(1-methoxynaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-3-methylbutanamide
SMILESCOc1c(S(=O)(=O)N(CCC(C)C)[C@@H](C(=O)NO)C(C)C)ccc2ccccc12
InChIInChI=1S/C21H30N2O5S/c1-14(2)12-13-23(19(15(3)4)21(24)22-25)29(26,27)18-11-10-16-8-6-7-9-17(16)20(18)28-5/h6-11,14-15,19,25H,12-13H2,1-5H3,(H,22,24)/t19-/m1/s1
InChIKeyGULCOHUVEZMRKA-LJQANCHMSA-N
MW422.55 g/mol
LogP3.42
Rot. Bonds9

About (2R)-N-hydroxy-2-[(1-methoxynaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-3-methylbutanamide

(2R)-N-hydroxy-2-[(1-methoxynaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-3-methylbutanamide (PubChem CID 58256164) has the molecular formula C21H30N2O5S and a molecular weight of 422.55 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-[(1-methoxynaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-[(1-methoxynaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-3-methylbutanamide
PubChem CID58256164
Molecular FormulaC21H30N2O5S
Molecular Weight422.55 g/mol
Exact Mass422.19
IUPAC Name(2R)-N-hydroxy-2-[(1-methoxynaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-3-methylbutanamide
SMILESCOc1c(S(=O)(=O)N(CCC(C)C)[C@@H](C(=O)NO)C(C)C)ccc2ccccc12
InChIInChI=1S/C21H30N2O5S/c1-14(2)12-13-23(19(15(3)4)21(24)22-25)29(26,27)18-11-10-16-8-6-7-9-17(16)20(18)28-5/h6-11,14-15,19,25H,12-13H2,1-5H3,(H,22,24)/t19-/m1/s1
InChIKeyGULCOHUVEZMRKA-LJQANCHMSA-N
XLogP3.42
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.42
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-[(1-methoxynaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-3-methylbutanamide?
The IUPAC name of (2R)-N-hydroxy-2-[(1-methoxynaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-3-methylbutanamide (CID 58256164) is (2R)-N-hydroxy-2-[(1-methoxynaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-3-methylbutanamide.
What is the SMILES notation for (2R)-N-hydroxy-2-[(1-methoxynaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-3-methylbutanamide?
The canonical SMILES for (2R)-N-hydroxy-2-[(1-methoxynaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-3-methylbutanamide is COc1c(S(=O)(=O)N(CCC(C)C)[C@@H](C(=O)NO)C(C)C)ccc2ccccc12.
What is the InChIKey of (2R)-N-hydroxy-2-[(1-methoxynaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-3-methylbutanamide?
The InChIKey is GULCOHUVEZMRKA-LJQANCHMSA-N. The full InChI is InChI=1S/C21H30N2O5S/c1-14(2)12-13-23(19(15(3)4)21(24)22-25)29(26,27)18-11-10-16-8-6-7-9-17(16)20(18)28-5/h6-11,14-15,19,25H,12-13H2,1-5H3,(H,22,24)/t19-/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-[(1-methoxynaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-3-methylbutanamide?
(2R)-N-hydroxy-2-[(1-methoxynaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-3-methylbutanamide has a molecular weight of 422.55 g/mol, XLogP of 3.42, 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-[(1-methoxynaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-3-methylbutanamide is sourced from PubChem (CID 58256164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).