N-hydroxy-2-methyl-2-[methyl(3-phenylsulfanylpropyl)sulfamoyl]propanamide

C14H22N2O4S2 — CID 18723078

IUPACN-hydroxy-2-methyl-2-[methyl(3-phenylsulfanylpropyl)sulfamoyl]propanamide
SMILESCN(CCCSc1ccccc1)S(=O)(=O)C(C)(C)C(=O)NO
InChIInChI=1S/C14H22N2O4S2/c1-14(2,13(17)15-18)22(19,20)16(3)10-7-11-21-12-8-5-4-6-9-12/h4-6,8-9,18H,7,10-11H2,1-3H3,(H,15,17)
InChIKeyBVXJKZVZYNPSQY-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.71
Rot. Bonds8

About N-hydroxy-2-methyl-2-[methyl(3-phenylsulfanylpropyl)sulfamoyl]propanamide

N-hydroxy-2-methyl-2-[methyl(3-phenylsulfanylpropyl)sulfamoyl]propanamide (PubChem CID 18723078) has the molecular formula C14H22N2O4S2 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-hydroxy-2-methyl-2-[methyl(3-phenylsulfanylpropyl)sulfamoyl]propanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-2-[methyl(3-phenylsulfanylpropyl)sulfamoyl]propanamide
PubChem CID18723078
Molecular FormulaC14H22N2O4S2
Molecular Weight346.47 g/mol
Exact Mass346.10
IUPAC NameN-hydroxy-2-methyl-2-[methyl(3-phenylsulfanylpropyl)sulfamoyl]propanamide
SMILESCN(CCCSc1ccccc1)S(=O)(=O)C(C)(C)C(=O)NO
InChIInChI=1S/C14H22N2O4S2/c1-14(2,13(17)15-18)22(19,20)16(3)10-7-11-21-12-8-5-4-6-9-12/h4-6,8-9,18H,7,10-11H2,1-3H3,(H,15,17)
InChIKeyBVXJKZVZYNPSQY-UHFFFAOYSA-N
XLogP1.71
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.71
H-Bond Donors ≤ 52
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-[methyl(3-phenylsulfanylpropyl)sulfamoyl]propanamide?
The IUPAC name of N-hydroxy-2-methyl-2-[methyl(3-phenylsulfanylpropyl)sulfamoyl]propanamide (CID 18723078) is N-hydroxy-2-methyl-2-[methyl(3-phenylsulfanylpropyl)sulfamoyl]propanamide.
What is the SMILES notation for N-hydroxy-2-methyl-2-[methyl(3-phenylsulfanylpropyl)sulfamoyl]propanamide?
The canonical SMILES for N-hydroxy-2-methyl-2-[methyl(3-phenylsulfanylpropyl)sulfamoyl]propanamide is CN(CCCSc1ccccc1)S(=O)(=O)C(C)(C)C(=O)NO.
What is the InChIKey of N-hydroxy-2-methyl-2-[methyl(3-phenylsulfanylpropyl)sulfamoyl]propanamide?
The InChIKey is BVXJKZVZYNPSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S2/c1-14(2,13(17)15-18)22(19,20)16(3)10-7-11-21-12-8-5-4-6-9-12/h4-6,8-9,18H,7,10-11H2,1-3H3,(H,15,17).
What are the key properties of N-hydroxy-2-methyl-2-[methyl(3-phenylsulfanylpropyl)sulfamoyl]propanamide?
N-hydroxy-2-methyl-2-[methyl(3-phenylsulfanylpropyl)sulfamoyl]propanamide has a molecular weight of 346.47 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-2-[methyl(3-phenylsulfanylpropyl)sulfamoyl]propanamide is sourced from PubChem (CID 18723078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).