3-amino-2-methoxy-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide

C12H19N3O4S — CID 106111402

IUPAC3-amino-2-methoxy-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC(=O)C(CN)OC)c1
InChIInChI=1S/C12H19N3O4S/c1-8-4-5-9(20(17,18)14-2)6-10(8)15-12(16)11(7-13)19-3/h4-6,11,14H,7,13H2,1-3H3,(H,15,16)
InChIKeySRPFFECBQKWDOK-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.18
Rot. Bonds6

About 3-amino-2-methoxy-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide

3-amino-2-methoxy-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide (PubChem CID 106111402) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
PubChem CID106111402
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name3-amino-2-methoxy-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC(=O)C(CN)OC)c1
InChIInChI=1S/C12H19N3O4S/c1-8-4-5-9(20(17,18)14-2)6-10(8)15-12(16)11(7-13)19-3/h4-6,11,14H,7,13H2,1-3H3,(H,15,16)
InChIKeySRPFFECBQKWDOK-UHFFFAOYSA-N
XLogP-0.18
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(5-chloro-2-methylphenyl)-2-methoxypropanamide
CID 106111180
3-amino-2-methoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
CID 106111636
2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 43695768
(2R)-2-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide
CID 103795500
(2S)-2-amino-4-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide
CID 61155453
N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-propan-2-yloxyacetamide
CID 47413216
2,2,2-trifluoro-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 63374698
4-(methylamino)-N-[2-methyl-5-(methylsulfamoyl)phenyl]butanamide
CID 60841151
2-(ethylamino)-2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 62831773
3-[(3-methoxy-2-methylpropyl)amino]-N,4-dimethylbenzenesulfonamide
CID 116501144
3-amino-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxypropanamide
CID 106111504
3-amino-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]-2-methylbutanamide
CID 120501906

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-amino-2-methoxy-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide (CID 106111402) is 3-amino-2-methoxy-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide is CNS(=O)(=O)c1ccc(C)c(NC(=O)C(CN)OC)c1.
What is the InChIKey of 3-amino-2-methoxy-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is SRPFFECBQKWDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-8-4-5-9(20(17,18)14-2)6-10(8)15-12(16)11(7-13)19-3/h4-6,11,14H,7,13H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-2-methoxy-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide?
3-amino-2-methoxy-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 301.37 g/mol, XLogP of -0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 106111402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).