3-[(2,4-dichloro-5-methylphenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide

C23H28Cl2N4O3S — CID 11591581

About 3-[(2,4-dichloro-5-methylphenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide

3-[(2,4-dichloro-5-methylphenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide (PubChem CID 11591581) has the molecular formula C23H28Cl2N4O3S and a molecular weight of 511.48 g/mol. Its IUPAC name is 3-[(2,4-dichloro-5-methylphenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide.

Molecular Properties

• Compound Name: 3-[(2,4-dichloro-5-methylphenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide
• PubChem CID: 11591581
• Molecular Formula: C23H28Cl2N4O3S
• Molecular Weight: 511.48 g/mol
• Exact Mass: 510.13
• IUPAC Name: 3-[(2,4-dichloro-5-methylphenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide
• SMILES: Cc1cc(S(=O)(=O)N(C)CCC(=O)N(C)CCc2ccc(C3=NCCN3)cc2)c(Cl)cc1Cl
• InChI: InChI=1S/C23H28Cl2N4O3S/c1-16-14-21(20(25)15-19(16)24)33(31,32)29(3)13-9-22(30)28(2)12-8-17-4-6-18(7-5-17)23-26-10-11-27-23/h4-7,14-15H,8-13H2,1-3H3,(H,26,27)
• InChIKey: AELOYTAUTMUXAN-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 82.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.48
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichloro-5-methylphenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide?

The IUPAC name of 3-[(2,4-dichloro-5-methylphenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide (CID 11591581) is 3-[(2,4-dichloro-5-methylphenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide.

What is the SMILES notation for 3-[(2,4-dichloro-5-methylphenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide?

The canonical SMILES for 3-[(2,4-dichloro-5-methylphenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide is Cc1cc(S(=O)(=O)N(C)CCC(=O)N(C)CCc2ccc(C3=NCCN3)cc2)c(Cl)cc1Cl.

What is the InChIKey of 3-[(2,4-dichloro-5-methylphenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide?

The InChIKey is AELOYTAUTMUXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N4O3S/c1-16-14-21(20(25)15-19(16)24)33(31,32)29(3)13-9-22(30)28(2)12-8-17-4-6-18(7-5-17)23-26-10-11-27-23/h4-7,14-15H,8-13H2,1-3H3,(H,26,27).

What are the key properties of 3-[(2,4-dichloro-5-methylphenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide?

3-[(2,4-dichloro-5-methylphenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide has a molecular weight of 511.48 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2,4-dichloro-5-methylphenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide is sourced from PubChem (CID 11591581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).