3-(diethylsulfamoyl)-N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide

C19H28N4O4S2 — CID 2110705

About 3-(diethylsulfamoyl)-N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide

3-(diethylsulfamoyl)-N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 2110705) has the molecular formula C19H28N4O4S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

• Compound Name: 3-(diethylsulfamoyl)-N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
• PubChem CID: 2110705
• Molecular Formula: C19H28N4O4S2
• Molecular Weight: 440.59 g/mol
• Exact Mass: 440.16
• IUPAC Name: 3-(diethylsulfamoyl)-N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
• SMILES: CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)NC2=NCCS2)C(C)C)c1
• InChI: InChI=1S/C19H28N4O4S2/c1-5-23(6-2)29(26,27)15-9-7-8-14(12-15)17(24)21-16(13(3)4)18(25)22-19-20-10-11-28-19/h7-9,12-13,16H,5-6,10-11H2,1-4H3,(H,21,24)(H,20,22,25)/t16-/m0/s1
• InChIKey: CNDBFWAROCCTTA-INIZCTEOSA-N
• XLogP: 1.69
• TPSA: 107.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.59
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide?

The IUPAC name of 3-(diethylsulfamoyl)-N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide (CID 2110705) is 3-(diethylsulfamoyl)-N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide.

What is the SMILES notation for 3-(diethylsulfamoyl)-N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide?

The canonical SMILES for 3-(diethylsulfamoyl)-N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)NC2=NCCS2)C(C)C)c1.

What is the InChIKey of 3-(diethylsulfamoyl)-N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide?

The InChIKey is CNDBFWAROCCTTA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H28N4O4S2/c1-5-23(6-2)29(26,27)15-9-7-8-14(12-15)17(24)21-16(13(3)4)18(25)22-19-20-10-11-28-19/h7-9,12-13,16H,5-6,10-11H2,1-4H3,(H,21,24)(H,20,22,25)/t16-/m0/s1.

What are the key properties of 3-(diethylsulfamoyl)-N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide?

3-(diethylsulfamoyl)-N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 440.59 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(diethylsulfamoyl)-N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 2110705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).