3-amino-2-methoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide

C12H19N3O4S — CID 106111636

IUPAC3-amino-2-methoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1cc(NC(=O)C(CN)OC)ccc1C
InChIInChI=1S/C12H19N3O4S/c1-8-4-5-9(6-11(8)20(17,18)14-2)15-12(16)10(7-13)19-3/h4-6,10,14H,7,13H2,1-3H3,(H,15,16)
InChIKeyBTQNSJIJZPIGKR-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.18
Rot. Bonds6

About 3-amino-2-methoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide

3-amino-2-methoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide (PubChem CID 106111636) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
PubChem CID106111636
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name3-amino-2-methoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1cc(NC(=O)C(CN)OC)ccc1C
InChIInChI=1S/C12H19N3O4S/c1-8-4-5-9(6-11(8)20(17,18)14-2)15-12(16)10(7-13)19-3/h4-6,10,14H,7,13H2,1-3H3,(H,15,16)
InChIKeyBTQNSJIJZPIGKR-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

(2S)-2-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]butanamide
CID 79024115
3-amino-2-methoxy-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 106111402
3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119270679
5-amino-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pentanamide
CID 82013611
4-[(3-amino-2-methoxypropanoyl)amino]-2-methylbenzoic acid
CID 114145069
2-amino-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
CID 61265605
3-amino-N-(3,4-dimethoxyphenyl)-2-methoxypropanamide
CID 114144862
2-(2-methoxyethylamino)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 78912544
2-(2-methoxyphenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9106782
2-(4-tert-butylphenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
CID 84929872
4-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-methoxybutanamide
CID 120593058
3-amino-N-(5-chloro-2-methylphenyl)-2-methoxypropanamide
CID 106111180

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-amino-2-methoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide (CID 106111636) is 3-amino-2-methoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide is CNS(=O)(=O)c1cc(NC(=O)C(CN)OC)ccc1C.
What is the InChIKey of 3-amino-2-methoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is BTQNSJIJZPIGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-8-4-5-9(6-11(8)20(17,18)14-2)15-12(16)10(7-13)19-3/h4-6,10,14H,7,13H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-2-methoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide?
3-amino-2-methoxy-N-[4-methyl-3-(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-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 106111636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).