N-[(2S)-1-aminopropan-2-yl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide;hydrochloride

C19H26ClN3O4S — CID 120507374

About N-[(2S)-1-aminopropan-2-yl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide;hydrochloride (PubChem CID 120507374) has the molecular formula C19H26ClN3O4S and a molecular weight of 427.95 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide;hydrochloride.

Molecular Properties

• Compound Name: N-[(2S)-1-aminopropan-2-yl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide;hydrochloride
• PubChem CID: 120507374
• Molecular Formula: C19H26ClN3O4S
• Molecular Weight: 427.95 g/mol
• Exact Mass: 427.13
• IUPAC Name: N-[(2S)-1-aminopropan-2-yl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide;hydrochloride
• SMILES: COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C)CN)c1.Cl
• InChI: InChI=1S/C19H25N3O4S.ClH/c1-13-9-10-15(11-16(13)19(23)21-14(2)12-20)27(24,25)22(3)17-7-5-6-8-18(17)26-4;/h5-11,14H,12,20H2,1-4H3,(H,21,23);1H/t14-;/m0./s1
• InChIKey: IALGDEGIXHKRJC-UQKRIMTDSA-N
• XLogP: 2.33
• TPSA: 101.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.95
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide;hydrochloride?

The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide;hydrochloride (CID 120507374) is N-[(2S)-1-aminopropan-2-yl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide;hydrochloride.

What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide;hydrochloride?

The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide;hydrochloride is COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C)CN)c1.Cl.

What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide;hydrochloride?

The InChIKey is IALGDEGIXHKRJC-UQKRIMTDSA-N. The full InChI is InChI=1S/C19H25N3O4S.ClH/c1-13-9-10-15(11-16(13)19(23)21-14(2)12-20)27(24,25)22(3)17-7-5-6-8-18(17)26-4;/h5-11,14H,12,20H2,1-4H3,(H,21,23);1H/t14-;/m0./s1.

What are the key properties of N-[(2S)-1-aminopropan-2-yl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide;hydrochloride?

N-[(2S)-1-aminopropan-2-yl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide;hydrochloride has a molecular weight of 427.95 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-aminopropan-2-yl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 120507374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).