(2R)-N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-3-phenylpropanamide

C34H42Cl2N4O4S — CID 125070269

About (2R)-N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-3-phenylpropanamide

(2R)-N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-3-phenylpropanamide (PubChem CID 125070269) has the molecular formula C34H42Cl2N4O4S and a molecular weight of 673.71 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-3-phenylpropanamide.

Molecular Properties

• Compound Name: (2R)-N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-3-phenylpropanamide
• PubChem CID: 125070269
• Molecular Formula: C34H42Cl2N4O4S
• Molecular Weight: 673.71 g/mol
• Exact Mass: 672.23
• IUPAC Name: (2R)-N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-3-phenylpropanamide
• SMILES: Cc1ccc(C)c(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)N(C)C)c1
• InChI: InChI=1S/C34H42Cl2N4O4S/c1-24-15-16-25(2)31(19-24)40(45(43,44)38(3)4)23-33(41)39(22-27-17-18-28(35)21-30(27)36)32(20-26-11-7-5-8-12-26)34(42)37-29-13-9-6-10-14-29/h5,7-8,11-12,15-19,21,29,32H,6,9-10,13-14,20,22-23H2,1-4H3,(H,37,42)/t32-/m1/s1
• InChIKey: CURQWJUMXHKTOX-JGCGQSQUSA-N
• XLogP: 6.31
• TPSA: 90.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	673.71
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-3-phenylpropanamide?

The IUPAC name of (2R)-N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-3-phenylpropanamide (CID 125070269) is (2R)-N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-3-phenylpropanamide.

What is the SMILES notation for (2R)-N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-3-phenylpropanamide?

The canonical SMILES for (2R)-N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-3-phenylpropanamide is Cc1ccc(C)c(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)N(C)C)c1.

What is the InChIKey of (2R)-N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-3-phenylpropanamide?

The InChIKey is CURQWJUMXHKTOX-JGCGQSQUSA-N. The full InChI is InChI=1S/C34H42Cl2N4O4S/c1-24-15-16-25(2)31(19-24)40(45(43,44)38(3)4)23-33(41)39(22-27-17-18-28(35)21-30(27)36)32(20-26-11-7-5-8-12-26)34(42)37-29-13-9-6-10-14-29/h5,7-8,11-12,15-19,21,29,32H,6,9-10,13-14,20,22-23H2,1-4H3,(H,37,42)/t32-/m1/s1.

What are the key properties of (2R)-N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-3-phenylpropanamide?

(2R)-N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-3-phenylpropanamide has a molecular weight of 673.71 g/mol, XLogP of 6.31, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-3-phenylpropanamide is sourced from PubChem (CID 125070269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).