2-(ethylamino)-N-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonylpropanamide

C18H22N2O5S — CID 21130559

IUPAC2-(ethylamino)-N-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonylpropanamide
SMILESCCNC(C)(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C18H22N2O5S/c1-3-19-18(2,17(21)20-22)13-26(23,24)16-11-9-15(10-12-16)25-14-7-5-4-6-8-14/h4-12,19,22H,3,13H2,1-2H3,(H,20,21)
InChIKeyIYMQHQXCXLDREF-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.13
Rot. Bonds8

About 2-(ethylamino)-N-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonylpropanamide

2-(ethylamino)-N-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonylpropanamide (PubChem CID 21130559) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-(ethylamino)-N-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonylpropanamide.

Molecular Properties

Compound Name2-(ethylamino)-N-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonylpropanamide
PubChem CID21130559
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name2-(ethylamino)-N-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonylpropanamide
SMILESCCNC(C)(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C18H22N2O5S/c1-3-19-18(2,17(21)20-22)13-26(23,24)16-11-9-15(10-12-16)25-14-7-5-4-6-8-14/h4-12,19,22H,3,13H2,1-2H3,(H,20,21)
InChIKeyIYMQHQXCXLDREF-UHFFFAOYSA-N
XLogP2.13
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.13
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-(ethylamino)-N-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonylpropanamide?
The IUPAC name of 2-(ethylamino)-N-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonylpropanamide (CID 21130559) is 2-(ethylamino)-N-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonylpropanamide.
What is the SMILES notation for 2-(ethylamino)-N-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonylpropanamide?
The canonical SMILES for 2-(ethylamino)-N-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonylpropanamide is CCNC(C)(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO.
What is the InChIKey of 2-(ethylamino)-N-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonylpropanamide?
The InChIKey is IYMQHQXCXLDREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-3-19-18(2,17(21)20-22)13-26(23,24)16-11-9-15(10-12-16)25-14-7-5-4-6-8-14/h4-12,19,22H,3,13H2,1-2H3,(H,20,21).
What are the key properties of 2-(ethylamino)-N-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonylpropanamide?
2-(ethylamino)-N-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonylpropanamide has a molecular weight of 378.45 g/mol, XLogP of 2.13, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonylpropanamide is sourced from PubChem (CID 21130559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).