N-hydroxy-4-methylsulfonyl-2-(naphthalen-2-ylsulfonylamino)butanamide

C15H18N2O6S2 — CID 44609101

IUPACN-hydroxy-4-methylsulfonyl-2-(naphthalen-2-ylsulfonylamino)butanamide
SMILESCS(=O)(=O)CCC(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NO
InChIInChI=1S/C15H18N2O6S2/c1-24(20,21)9-8-14(15(18)16-19)17-25(22,23)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,14,17,19H,8-9H2,1H3,(H,16,18)
InChIKeyRUNPSSQRRVIPKB-UHFFFAOYSA-N
MW386.45 g/mol
LogP0.43
Rot. Bonds7

About N-hydroxy-4-methylsulfonyl-2-(naphthalen-2-ylsulfonylamino)butanamide

N-hydroxy-4-methylsulfonyl-2-(naphthalen-2-ylsulfonylamino)butanamide (PubChem CID 44609101) has the molecular formula C15H18N2O6S2 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-hydroxy-4-methylsulfonyl-2-(naphthalen-2-ylsulfonylamino)butanamide.

Molecular Properties

Compound NameN-hydroxy-4-methylsulfonyl-2-(naphthalen-2-ylsulfonylamino)butanamide
PubChem CID44609101
Molecular FormulaC15H18N2O6S2
Molecular Weight386.45 g/mol
Exact Mass386.06
IUPAC NameN-hydroxy-4-methylsulfonyl-2-(naphthalen-2-ylsulfonylamino)butanamide
SMILESCS(=O)(=O)CCC(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NO
InChIInChI=1S/C15H18N2O6S2/c1-24(20,21)9-8-14(15(18)16-19)17-25(22,23)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,14,17,19H,8-9H2,1H3,(H,16,18)
InChIKeyRUNPSSQRRVIPKB-UHFFFAOYSA-N
XLogP0.43
TPSA129.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Related Compounds

2-(naphthalen-2-ylsulfonylamino)butanoate
CID 4110803
(2R)-2-(naphthalen-2-ylsulfonylamino)butanoate
CID 6923633
(2R)-4-methylsulfanyl-2-(naphthalen-2-ylsulfonylamino)butanoic acid
CID 2055040
(2S)-3-amino-2-(naphthalen-2-ylsulfonylamino)propanoic acid;hydrochloride
CID 70154426
(2S)-2-(benzenesulfonamido)-N-benzyl-4-methylsulfonylbutanamide
CID 9041162
(2S)-2-(benzenesulfonamido)-N-(4-methylphenyl)-4-methylsulfonylbutanamide
CID 9042138
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-propylbutanamide
CID 18160933
(2R)-2-[(3-chlorophenyl)sulfonylamino]-N-hydroxyhexanamide
CID 131856473
N-[(2R)-5-methylhexan-2-yl]naphthalene-2-sulfonamide
CID 31481331
(2R)-2-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 7393168
(2R)-N-[(4-methoxyphenyl)methyl]-2-(naphthalen-2-ylsulfonylamino)pentanediamide
CID 25484810
(2S)-N,3-dihydroxy-2-(quinolin-7-ylsulfonylamino)propanamide
CID 90948921

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-methylsulfonyl-2-(naphthalen-2-ylsulfonylamino)butanamide?
The IUPAC name of N-hydroxy-4-methylsulfonyl-2-(naphthalen-2-ylsulfonylamino)butanamide (CID 44609101) is N-hydroxy-4-methylsulfonyl-2-(naphthalen-2-ylsulfonylamino)butanamide.
What is the SMILES notation for N-hydroxy-4-methylsulfonyl-2-(naphthalen-2-ylsulfonylamino)butanamide?
The canonical SMILES for N-hydroxy-4-methylsulfonyl-2-(naphthalen-2-ylsulfonylamino)butanamide is CS(=O)(=O)CCC(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NO.
What is the InChIKey of N-hydroxy-4-methylsulfonyl-2-(naphthalen-2-ylsulfonylamino)butanamide?
The InChIKey is RUNPSSQRRVIPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6S2/c1-24(20,21)9-8-14(15(18)16-19)17-25(22,23)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,14,17,19H,8-9H2,1H3,(H,16,18).
What are the key properties of N-hydroxy-4-methylsulfonyl-2-(naphthalen-2-ylsulfonylamino)butanamide?
N-hydroxy-4-methylsulfonyl-2-(naphthalen-2-ylsulfonylamino)butanamide has a molecular weight of 386.45 g/mol, XLogP of 0.43, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-methylsulfonyl-2-(naphthalen-2-ylsulfonylamino)butanamide is sourced from PubChem (CID 44609101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).