N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-propan-2-yloxyacetamide

C13H20N2O4S — CID 47413216

IUPACN-[2-methyl-5-(methylsulfamoyl)phenyl]-2-propan-2-yloxyacetamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC(=O)COC(C)C)c1
InChIInChI=1S/C13H20N2O4S/c1-9(2)19-8-13(16)15-12-7-11(6-5-10(12)3)20(17,18)14-4/h5-7,9,14H,8H2,1-4H3,(H,15,16)
InChIKeyPJMSISVOCHCXHS-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.27
Rot. Bonds6

About N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-propan-2-yloxyacetamide

N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-propan-2-yloxyacetamide (PubChem CID 47413216) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[2-methyl-5-(methylsulfamoyl)phenyl]-2-propan-2-yloxyacetamide
PubChem CID47413216
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-[2-methyl-5-(methylsulfamoyl)phenyl]-2-propan-2-yloxyacetamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC(=O)COC(C)C)c1
InChIInChI=1S/C13H20N2O4S/c1-9(2)19-8-13(16)15-12-7-11(6-5-10(12)3)20(17,18)14-4/h5-7,9,14H,8H2,1-4H3,(H,15,16)
InChIKeyPJMSISVOCHCXHS-UHFFFAOYSA-N
XLogP1.27
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112696057
4-(methylamino)-N-[2-methyl-5-(methylsulfamoyl)phenyl]butanamide
CID 60841151
2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 43695768
(2S)-2-amino-4-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide
CID 61155453
3-amino-2-methoxy-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 106111402
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100790294
2,2,2-trifluoro-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 63374698
3-[(3-methoxy-2-methylpropyl)amino]-N,4-dimethylbenzenesulfonamide
CID 116501144
(2R)-2-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide
CID 103795500
N-methyl-N-[2-[2-methyl-5-(methylsulfamoyl)anilino]-2-oxoethyl]prop-2-enamide
CID 167971518
N,4-dimethyl-3-(3-methylbutan-2-ylamino)benzenesulfonamide
CID 43752081
2-(ethylamino)-2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 62831773

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-propan-2-yloxyacetamide (CID 47413216) is N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-propan-2-yloxyacetamide is CNS(=O)(=O)c1ccc(C)c(NC(=O)COC(C)C)c1.
What is the InChIKey of N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-propan-2-yloxyacetamide?
The InChIKey is PJMSISVOCHCXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-9(2)19-8-13(16)15-12-7-11(6-5-10(12)3)20(17,18)14-4/h5-7,9,14H,8H2,1-4H3,(H,15,16).
What are the key properties of N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-propan-2-yloxyacetamide?
N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-propan-2-yloxyacetamide has a molecular weight of 300.38 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 47413216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).