2-acetamido-N-hydroxy-3-(4-phenylsulfanylphenyl)sulfonylpropanamide

C17H18N2O5S2 — CID 18512737

IUPAC2-acetamido-N-hydroxy-3-(4-phenylsulfanylphenyl)sulfonylpropanamide
SMILESCC(=O)NC(CS(=O)(=O)c1ccc(Sc2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C17H18N2O5S2/c1-12(20)18-16(17(21)19-22)11-26(23,24)15-9-7-14(8-10-15)25-13-5-3-2-4-6-13/h2-10,16,22H,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyLNMDTXFZBLSAOK-UHFFFAOYSA-N
MW394.47 g/mol
LogP1.62
Rot. Bonds7

About 2-acetamido-N-hydroxy-3-(4-phenylsulfanylphenyl)sulfonylpropanamide

2-acetamido-N-hydroxy-3-(4-phenylsulfanylphenyl)sulfonylpropanamide (PubChem CID 18512737) has the molecular formula C17H18N2O5S2 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-acetamido-N-hydroxy-3-(4-phenylsulfanylphenyl)sulfonylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-hydroxy-3-(4-phenylsulfanylphenyl)sulfonylpropanamide
PubChem CID18512737
Molecular FormulaC17H18N2O5S2
Molecular Weight394.47 g/mol
Exact Mass394.07
IUPAC Name2-acetamido-N-hydroxy-3-(4-phenylsulfanylphenyl)sulfonylpropanamide
SMILESCC(=O)NC(CS(=O)(=O)c1ccc(Sc2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C17H18N2O5S2/c1-12(20)18-16(17(21)19-22)11-26(23,24)15-9-7-14(8-10-15)25-13-5-3-2-4-6-13/h2-10,16,22H,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyLNMDTXFZBLSAOK-UHFFFAOYSA-N
XLogP1.62
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 51.62
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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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-hydroxy-3-(4-phenylsulfanylphenyl)sulfonylpropanamide?
The IUPAC name of 2-acetamido-N-hydroxy-3-(4-phenylsulfanylphenyl)sulfonylpropanamide (CID 18512737) is 2-acetamido-N-hydroxy-3-(4-phenylsulfanylphenyl)sulfonylpropanamide.
What is the SMILES notation for 2-acetamido-N-hydroxy-3-(4-phenylsulfanylphenyl)sulfonylpropanamide?
The canonical SMILES for 2-acetamido-N-hydroxy-3-(4-phenylsulfanylphenyl)sulfonylpropanamide is CC(=O)NC(CS(=O)(=O)c1ccc(Sc2ccccc2)cc1)C(=O)NO.
What is the InChIKey of 2-acetamido-N-hydroxy-3-(4-phenylsulfanylphenyl)sulfonylpropanamide?
The InChIKey is LNMDTXFZBLSAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S2/c1-12(20)18-16(17(21)19-22)11-26(23,24)15-9-7-14(8-10-15)25-13-5-3-2-4-6-13/h2-10,16,22H,11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-acetamido-N-hydroxy-3-(4-phenylsulfanylphenyl)sulfonylpropanamide?
2-acetamido-N-hydroxy-3-(4-phenylsulfanylphenyl)sulfonylpropanamide has a molecular weight of 394.47 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-hydroxy-3-(4-phenylsulfanylphenyl)sulfonylpropanamide is sourced from PubChem (CID 18512737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).