N-hydroxy-2-methyl-2-(3-phenylmethoxypropylsulfamoyl)propanamide

C14H22N2O5S — CID 18723044

IUPACN-hydroxy-2-methyl-2-(3-phenylmethoxypropylsulfamoyl)propanamide
SMILESCC(C)(C(=O)NO)S(=O)(=O)NCCCOCc1ccccc1
InChIInChI=1S/C14H22N2O5S/c1-14(2,13(17)16-18)22(19,20)15-9-6-10-21-11-12-7-4-3-5-8-12/h3-5,7-8,15,18H,6,9-11H2,1-2H3,(H,16,17)
InChIKeyZBNMVUNCKKLNJC-UHFFFAOYSA-N
MW330.41 g/mol
LogP0.80
Rot. Bonds9

About N-hydroxy-2-methyl-2-(3-phenylmethoxypropylsulfamoyl)propanamide

N-hydroxy-2-methyl-2-(3-phenylmethoxypropylsulfamoyl)propanamide (PubChem CID 18723044) has the molecular formula C14H22N2O5S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-hydroxy-2-methyl-2-(3-phenylmethoxypropylsulfamoyl)propanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-2-(3-phenylmethoxypropylsulfamoyl)propanamide
PubChem CID18723044
Molecular FormulaC14H22N2O5S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN-hydroxy-2-methyl-2-(3-phenylmethoxypropylsulfamoyl)propanamide
SMILESCC(C)(C(=O)NO)S(=O)(=O)NCCCOCc1ccccc1
InChIInChI=1S/C14H22N2O5S/c1-14(2,13(17)16-18)22(19,20)15-9-6-10-21-11-12-7-4-3-5-8-12/h3-5,7-8,15,18H,6,9-11H2,1-2H3,(H,16,17)
InChIKeyZBNMVUNCKKLNJC-UHFFFAOYSA-N
XLogP0.80
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-2-(3-phenylmethoxypropylsulfamoyl)propanamide?
The IUPAC name of N-hydroxy-2-methyl-2-(3-phenylmethoxypropylsulfamoyl)propanamide (CID 18723044) is N-hydroxy-2-methyl-2-(3-phenylmethoxypropylsulfamoyl)propanamide.
What is the SMILES notation for N-hydroxy-2-methyl-2-(3-phenylmethoxypropylsulfamoyl)propanamide?
The canonical SMILES for N-hydroxy-2-methyl-2-(3-phenylmethoxypropylsulfamoyl)propanamide is CC(C)(C(=O)NO)S(=O)(=O)NCCCOCc1ccccc1.
What is the InChIKey of N-hydroxy-2-methyl-2-(3-phenylmethoxypropylsulfamoyl)propanamide?
The InChIKey is ZBNMVUNCKKLNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S/c1-14(2,13(17)16-18)22(19,20)15-9-6-10-21-11-12-7-4-3-5-8-12/h3-5,7-8,15,18H,6,9-11H2,1-2H3,(H,16,17).
What are the key properties of N-hydroxy-2-methyl-2-(3-phenylmethoxypropylsulfamoyl)propanamide?
N-hydroxy-2-methyl-2-(3-phenylmethoxypropylsulfamoyl)propanamide has a molecular weight of 330.41 g/mol, XLogP of 0.80, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-2-(3-phenylmethoxypropylsulfamoyl)propanamide is sourced from PubChem (CID 18723044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).