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

C19H26N2O5S — CID 57394731

IUPAC(2R)-N,3-dihydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]butanamide
SMILESCC(C)CCN([C@@H](C(=O)NO)C(C)O)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H26N2O5S/c1-13(2)10-11-21(18(14(3)22)19(23)20-24)27(25,26)17-9-8-15-6-4-5-7-16(15)12-17/h4-9,12-14,18,22,24H,10-11H2,1-3H3,(H,20,23)/t14?,18-/m1/s1
InChIKeyBCNQQPWDHJUQFQ-XPKAQORNSA-N
MW394.49 g/mol
LogP2.13
Rot. Bonds8

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

(2R)-N,3-dihydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]butanamide (PubChem CID 57394731) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is (2R)-N,3-dihydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]butanamide.

Molecular Properties

Compound Name(2R)-N,3-dihydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]butanamide
PubChem CID57394731
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Name(2R)-N,3-dihydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]butanamide
SMILESCC(C)CCN([C@@H](C(=O)NO)C(C)O)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H26N2O5S/c1-13(2)10-11-21(18(14(3)22)19(23)20-24)27(25,26)17-9-8-15-6-4-5-7-16(15)12-17/h4-9,12-14,18,22,24H,10-11H2,1-3H3,(H,20,23)/t14?,18-/m1/s1
InChIKeyBCNQQPWDHJUQFQ-XPKAQORNSA-N
XLogP2.13
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 52.13
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]butanamide?
The IUPAC name of (2R)-N,3-dihydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]butanamide (CID 57394731) is (2R)-N,3-dihydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]butanamide.
What is the SMILES notation for (2R)-N,3-dihydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]butanamide?
The canonical SMILES for (2R)-N,3-dihydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]butanamide is CC(C)CCN([C@@H](C(=O)NO)C(C)O)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-N,3-dihydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]butanamide?
The InChIKey is BCNQQPWDHJUQFQ-XPKAQORNSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-13(2)10-11-21(18(14(3)22)19(23)20-24)27(25,26)17-9-8-15-6-4-5-7-16(15)12-17/h4-9,12-14,18,22,24H,10-11H2,1-3H3,(H,20,23)/t14?,18-/m1/s1.
What are the key properties of (2R)-N,3-dihydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]butanamide?
(2R)-N,3-dihydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]butanamide has a molecular weight of 394.49 g/mol, XLogP of 2.13, 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]butanamide is sourced from PubChem (CID 57394731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).