3-hydroxy-N-methoxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]propanamide

C12H18N2O5S — CID 134917498

IUPAC3-hydroxy-N-methoxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCON(C)C(=O)C(CO)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H18N2O5S/c1-9-4-6-10(7-5-9)20(17,18)13-11(8-15)12(16)14(2)19-3/h4-7,11,13,15H,8H2,1-3H3
InChIKeyALJAOPUVHAKMSS-UHFFFAOYSA-N
MW302.35 g/mol
LogP-0.35
Rot. Bonds6

About 3-hydroxy-N-methoxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]propanamide

3-hydroxy-N-methoxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 134917498) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is 3-hydroxy-N-methoxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name3-hydroxy-N-methoxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID134917498
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Name3-hydroxy-N-methoxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCON(C)C(=O)C(CO)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H18N2O5S/c1-9-4-6-10(7-5-9)20(17,18)13-11(8-15)12(16)14(2)19-3/h4-7,11,13,15H,8H2,1-3H3
InChIKeyALJAOPUVHAKMSS-UHFFFAOYSA-N
XLogP-0.35
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methoxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of 3-hydroxy-N-methoxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]propanamide (CID 134917498) is 3-hydroxy-N-methoxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for 3-hydroxy-N-methoxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for 3-hydroxy-N-methoxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]propanamide is CON(C)C(=O)C(CO)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 3-hydroxy-N-methoxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is ALJAOPUVHAKMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-9-4-6-10(7-5-9)20(17,18)13-11(8-15)12(16)14(2)19-3/h4-7,11,13,15H,8H2,1-3H3.
What are the key properties of 3-hydroxy-N-methoxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]propanamide?
3-hydroxy-N-methoxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 302.35 g/mol, XLogP of -0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methoxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 134917498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).