2-[(3-butylphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide

C14H22N2O4S — CID 15118196

IUPAC2-[(3-butylphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide
SMILESCCCCc1cccc(CS(=O)(=O)N(C)CC(=O)NO)c1
InChIInChI=1S/C14H22N2O4S/c1-3-4-6-12-7-5-8-13(9-12)11-21(19,20)16(2)10-14(17)15-18/h5,7-9,18H,3-4,6,10-11H2,1-2H3,(H,15,17)
InChIKeyQXLMAIXLGDQEDM-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.30
Rot. Bonds8

About 2-[(3-butylphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide

2-[(3-butylphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide (PubChem CID 15118196) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[(3-butylphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[(3-butylphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide
PubChem CID15118196
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name2-[(3-butylphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide
SMILESCCCCc1cccc(CS(=O)(=O)N(C)CC(=O)NO)c1
InChIInChI=1S/C14H22N2O4S/c1-3-4-6-12-7-5-8-13(9-12)11-21(19,20)16(2)10-14(17)15-18/h5,7-9,18H,3-4,6,10-11H2,1-2H3,(H,15,17)
InChIKeyQXLMAIXLGDQEDM-UHFFFAOYSA-N
XLogP1.30
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.30
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

2-[(3-butylphenyl)methylsulfonyl-methylamino]ethanethioamide
CID 15118206
2-[(3-ethoxyphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide
CID 15118197
N-[2-[[3-(2,2-difluoroethyl)phenyl]methylsulfonyl-methylamino]acetyl]propanamide
CID 15118336
N-[2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetyl]propanamide
CID 15118329
1-[3-(aminomethyl)phenyl]-N-methyl-N-propylmethanesulfonamide
CID 54885724
2-[(3-iodophenyl)methylsulfonyl-methylamino]acetate
CID 19837738
2-[hexadecylsulfonyl(2-phenylethyl)amino]-N-hydroxyacetamide
CID 54222909
2-[(3-methoxycarbonylphenyl)methylsulfonyl-methylamino]acetic acid
CID 43362298
2-[(4-butylphenyl)sulfonyl-pentylamino]-N-hydroxyacetamide
CID 142683333
2-[(3-bromophenyl)methylsulfonyl-methylamino]ethanethioamide
CID 15118213
lithium 3-butylbenzoate
CID 101299949
1-(3-butylphenyl)-3-(3,5-dibutylphenyl)propane-1,3-dione
CID 130220574

Frequently Asked Questions

What is the IUPAC name of 2-[(3-butylphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide?
The IUPAC name of 2-[(3-butylphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide (CID 15118196) is 2-[(3-butylphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[(3-butylphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide?
The canonical SMILES for 2-[(3-butylphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide is CCCCc1cccc(CS(=O)(=O)N(C)CC(=O)NO)c1.
What is the InChIKey of 2-[(3-butylphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide?
The InChIKey is QXLMAIXLGDQEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-3-4-6-12-7-5-8-13(9-12)11-21(19,20)16(2)10-14(17)15-18/h5,7-9,18H,3-4,6,10-11H2,1-2H3,(H,15,17).
What are the key properties of 2-[(3-butylphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide?
2-[(3-butylphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide has a molecular weight of 314.41 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-butylphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide is sourced from PubChem (CID 15118196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).