2,4-dichloro-N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

C18H19Cl3N2O2S2 — CID 55620504

About 2,4-dichloro-N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

2,4-dichloro-N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (PubChem CID 55620504) has the molecular formula C18H19Cl3N2O2S2 and a molecular weight of 465.86 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
• PubChem CID: 55620504
• Molecular Formula: C18H19Cl3N2O2S2
• Molecular Weight: 465.86 g/mol
• Exact Mass: 464.00
• IUPAC Name: 2,4-dichloro-N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
• SMILES: CSCCC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC(C)c1ccc(Cl)s1
• InChI: InChI=1S/C18H19Cl3N2O2S2/c1-10(15-5-6-16(21)27-15)22-18(25)14(7-8-26-2)23-17(24)12-4-3-11(19)9-13(12)20/h3-6,9-10,14H,7-8H2,1-2H3,(H,22,25)(H,23,24)
• InChIKey: ZVZWDZKRCKWMSZ-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.86
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?

The IUPAC name of 2,4-dichloro-N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (CID 55620504) is 2,4-dichloro-N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.

What is the SMILES notation for 2,4-dichloro-N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?

The canonical SMILES for 2,4-dichloro-N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is CSCCC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC(C)c1ccc(Cl)s1.

What is the InChIKey of 2,4-dichloro-N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?

The InChIKey is ZVZWDZKRCKWMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl3N2O2S2/c1-10(15-5-6-16(21)27-15)22-18(25)14(7-8-26-2)23-17(24)12-4-3-11(19)9-13(12)20/h3-6,9-10,14H,7-8H2,1-2H3,(H,22,25)(H,23,24).

What are the key properties of 2,4-dichloro-N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?

2,4-dichloro-N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide has a molecular weight of 465.86 g/mol, XLogP of 5.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 55620504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).