3-[butyl(naphthalen-1-ylsulfonyl)amino]-N-hydroxypropanamide

C17H22N2O4S — CID 142683354

IUPAC3-[butyl(naphthalen-1-ylsulfonyl)amino]-N-hydroxypropanamide
SMILESCCCCN(CCC(=O)NO)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C17H22N2O4S/c1-2-3-12-19(13-11-17(20)18-21)24(22,23)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,21H,2-3,11-13H2,1H3,(H,18,20)
InChIKeyUSQUONNZPZOXCG-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.53
Rot. Bonds8

About 3-[butyl(naphthalen-1-ylsulfonyl)amino]-N-hydroxypropanamide

3-[butyl(naphthalen-1-ylsulfonyl)amino]-N-hydroxypropanamide (PubChem CID 142683354) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 3-[butyl(naphthalen-1-ylsulfonyl)amino]-N-hydroxypropanamide.

Molecular Properties

Compound Name3-[butyl(naphthalen-1-ylsulfonyl)amino]-N-hydroxypropanamide
PubChem CID142683354
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name3-[butyl(naphthalen-1-ylsulfonyl)amino]-N-hydroxypropanamide
SMILESCCCCN(CCC(=O)NO)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C17H22N2O4S/c1-2-3-12-19(13-11-17(20)18-21)24(22,23)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,21H,2-3,11-13H2,1H3,(H,18,20)
InChIKeyUSQUONNZPZOXCG-UHFFFAOYSA-N
XLogP2.53
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.53
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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Related Compounds

N-butyl-N-(2-chloroethyl)naphthalene-1-sulfonamide
CID 114795610
2-[naphthalen-1-ylsulfonyl(propyl)amino]acetic acid
CID 114533570
N-[4-(dibutylsulfamoyl)naphthalen-1-yl]sulfonylacetamide
CID 154206907
N-prop-2-enyl-N-propylnaphthalene-1-sulfonamide
CID 114795839
4-[methyl(naphthalen-1-ylsulfonyl)amino]butanoic acid
CID 115776536
3-[(4-chlorophenyl)sulfonyl-pentylamino]-N-hydroxypropanamide
CID 142683275
2-[hexyl(naphthalen-1-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769352
N-hydroxy-3-[pentyl-(4-propylphenyl)sulfonylamino]propanamide
CID 142683345
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[naphthalen-1-ylsulfonyl(propyl)amino]acetamide
CID 42740730
N,N-bis(2-cyanoethyl)naphthalene-1-sulfonamide
CID 4986710
3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide
CID 10552396
N-hexyl-N-(2-oxodecyl)isoquinoline-5-sulfonamide
CID 21278414

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(naphthalen-1-ylsulfonyl)amino]-N-hydroxypropanamide?
The IUPAC name of 3-[butyl(naphthalen-1-ylsulfonyl)amino]-N-hydroxypropanamide (CID 142683354) is 3-[butyl(naphthalen-1-ylsulfonyl)amino]-N-hydroxypropanamide.
What is the SMILES notation for 3-[butyl(naphthalen-1-ylsulfonyl)amino]-N-hydroxypropanamide?
The canonical SMILES for 3-[butyl(naphthalen-1-ylsulfonyl)amino]-N-hydroxypropanamide is CCCCN(CCC(=O)NO)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of 3-[butyl(naphthalen-1-ylsulfonyl)amino]-N-hydroxypropanamide?
The InChIKey is USQUONNZPZOXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-2-3-12-19(13-11-17(20)18-21)24(22,23)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,21H,2-3,11-13H2,1H3,(H,18,20).
What are the key properties of 3-[butyl(naphthalen-1-ylsulfonyl)amino]-N-hydroxypropanamide?
3-[butyl(naphthalen-1-ylsulfonyl)amino]-N-hydroxypropanamide has a molecular weight of 350.44 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(naphthalen-1-ylsulfonyl)amino]-N-hydroxypropanamide is sourced from PubChem (CID 142683354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).