N-hydroxy-3-[pentyl-(4-propylphenyl)sulfonylamino]propanamide

C17H28N2O4S — CID 142683345

IUPACN-hydroxy-3-[pentyl-(4-propylphenyl)sulfonylamino]propanamide
SMILESCCCCCN(CCC(=O)NO)S(=O)(=O)c1ccc(CCC)cc1
InChIInChI=1S/C17H28N2O4S/c1-3-5-6-13-19(14-12-17(20)18-21)24(22,23)16-10-8-15(7-4-2)9-11-16/h8-11,21H,3-7,12-14H2,1-2H3,(H,18,20)
InChIKeyZYPBEPFRQSSTEM-UHFFFAOYSA-N
MW356.49 g/mol
LogP2.72
Rot. Bonds11

About N-hydroxy-3-[pentyl-(4-propylphenyl)sulfonylamino]propanamide

N-hydroxy-3-[pentyl-(4-propylphenyl)sulfonylamino]propanamide (PubChem CID 142683345) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-hydroxy-3-[pentyl-(4-propylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[pentyl-(4-propylphenyl)sulfonylamino]propanamide
PubChem CID142683345
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC NameN-hydroxy-3-[pentyl-(4-propylphenyl)sulfonylamino]propanamide
SMILESCCCCCN(CCC(=O)NO)S(=O)(=O)c1ccc(CCC)cc1
InChIInChI=1S/C17H28N2O4S/c1-3-5-6-13-19(14-12-17(20)18-21)24(22,23)16-10-8-15(7-4-2)9-11-16/h8-11,21H,3-7,12-14H2,1-2H3,(H,18,20)
InChIKeyZYPBEPFRQSSTEM-UHFFFAOYSA-N
XLogP2.72
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4-chlorophenyl)sulfonyl-pentylamino]-N-hydroxypropanamide
CID 142683275
2-[(4-butylphenyl)sulfonyl-pentylamino]-N-hydroxyacetamide
CID 142683333
3-[ethyl-(4-hexylphenyl)sulfonylamino]propanoic acid
CID 84557829
methyl 3-[ethyl-(4-propylphenyl)sulfonylamino]propanoate
CID 61009529
ethyl 3-[(4-hexylphenyl)sulfonyl-propylamino]propanoate
CID 84557777
N-(2-aminoethyl)-N,4-dipropylbenzenesulfonamide
CID 61350112
2-[(4-acetamidophenyl)sulfonyl-pentylamino]-N-hydroxyacetamide
CID 142683353
7-[(4-butylphenyl)sulfonyl-pyridin-2-ylamino]-N-hydroxyheptanamide
CID 141300682
N-(3-aminopropyl)-N-ethyl-4-propylbenzenesulfonamide
CID 61071536
2-[(4-aminophenyl)sulfonyl-butylamino]-N-hydroxyacetamide
CID 141159834
3-[[4-(diphenylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide
CID 59105586
3-[butyl(naphthalen-1-ylsulfonyl)amino]-N-hydroxypropanamide
CID 142683354

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[pentyl-(4-propylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-hydroxy-3-[pentyl-(4-propylphenyl)sulfonylamino]propanamide (CID 142683345) is N-hydroxy-3-[pentyl-(4-propylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-hydroxy-3-[pentyl-(4-propylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-hydroxy-3-[pentyl-(4-propylphenyl)sulfonylamino]propanamide is CCCCCN(CCC(=O)NO)S(=O)(=O)c1ccc(CCC)cc1.
What is the InChIKey of N-hydroxy-3-[pentyl-(4-propylphenyl)sulfonylamino]propanamide?
The InChIKey is ZYPBEPFRQSSTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-3-5-6-13-19(14-12-17(20)18-21)24(22,23)16-10-8-15(7-4-2)9-11-16/h8-11,21H,3-7,12-14H2,1-2H3,(H,18,20).
What are the key properties of N-hydroxy-3-[pentyl-(4-propylphenyl)sulfonylamino]propanamide?
N-hydroxy-3-[pentyl-(4-propylphenyl)sulfonylamino]propanamide has a molecular weight of 356.49 g/mol, XLogP of 2.72, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[pentyl-(4-propylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 142683345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).