(2R)-N,3-dihydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]propanamide

C18H24N2O5S — CID 57398273

IUPAC(2R)-N,3-dihydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]propanamide
SMILESCC(C)CCN([C@H](CO)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H24N2O5S/c1-13(2)9-10-20(17(12-21)18(22)19-23)26(24,25)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,13,17,21,23H,9-10,12H2,1-2H3,(H,19,22)/t17-/m1/s1
InChIKeyFUOOTOLTPDFGCS-QGZVFWFLSA-N
MW380.47 g/mol
LogP1.74
Rot. Bonds8

About (2R)-N,3-dihydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]propanamide

(2R)-N,3-dihydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]propanamide (PubChem CID 57398273) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is (2R)-N,3-dihydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]propanamide.

Molecular Properties

Compound Name(2R)-N,3-dihydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]propanamide
PubChem CID57398273
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC Name(2R)-N,3-dihydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]propanamide
SMILESCC(C)CCN([C@H](CO)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H24N2O5S/c1-13(2)9-10-20(17(12-21)18(22)19-23)26(24,25)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,13,17,21,23H,9-10,12H2,1-2H3,(H,19,22)/t17-/m1/s1
InChIKeyFUOOTOLTPDFGCS-QGZVFWFLSA-N
XLogP1.74
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.74
H-Bond Donors ≤ 53
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,3-dihydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]propanamide?
The IUPAC name of (2R)-N,3-dihydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]propanamide (CID 57398273) is (2R)-N,3-dihydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]propanamide.
What is the SMILES notation for (2R)-N,3-dihydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]propanamide?
The canonical SMILES for (2R)-N,3-dihydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]propanamide is CC(C)CCN([C@H](CO)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-N,3-dihydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]propanamide?
The InChIKey is FUOOTOLTPDFGCS-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-13(2)9-10-20(17(12-21)18(22)19-23)26(24,25)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,13,17,21,23H,9-10,12H2,1-2H3,(H,19,22)/t17-/m1/s1.
What are the key properties of (2R)-N,3-dihydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]propanamide?
(2R)-N,3-dihydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]propanamide has a molecular weight of 380.47 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,3-dihydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]propanamide is sourced from PubChem (CID 57398273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).