2,4-dichloro-N-[4-methyl-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopentan-2-yl]benzamide

C20H24Cl2N2O2S — CID 55364382

About 2,4-dichloro-N-[4-methyl-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopentan-2-yl]benzamide

2,4-dichloro-N-[4-methyl-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopentan-2-yl]benzamide (PubChem CID 55364382) has the molecular formula C20H24Cl2N2O2S and a molecular weight of 427.40 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-methyl-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopentan-2-yl]benzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-N-[4-methyl-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopentan-2-yl]benzamide
• PubChem CID: 55364382
• Molecular Formula: C20H24Cl2N2O2S
• Molecular Weight: 427.40 g/mol
• Exact Mass: 426.09
• IUPAC Name: 2,4-dichloro-N-[4-methyl-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopentan-2-yl]benzamide
• SMILES: Cc1ccsc1CN(C)C(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1Cl
• InChI: InChI=1S/C20H24Cl2N2O2S/c1-12(2)9-17(20(26)24(4)11-18-13(3)7-8-27-18)23-19(25)15-6-5-14(21)10-16(15)22/h5-8,10,12,17H,9,11H2,1-4H3,(H,23,25)
• InChIKey: HVWBFVINZQKPOT-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.40
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-methyl-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopentan-2-yl]benzamide?

The IUPAC name of 2,4-dichloro-N-[4-methyl-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopentan-2-yl]benzamide (CID 55364382) is 2,4-dichloro-N-[4-methyl-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopentan-2-yl]benzamide.

What is the SMILES notation for 2,4-dichloro-N-[4-methyl-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopentan-2-yl]benzamide?

The canonical SMILES for 2,4-dichloro-N-[4-methyl-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopentan-2-yl]benzamide is Cc1ccsc1CN(C)C(=O)C(CC(C)C)NC(=O)c1ccc(Cl)cc1Cl.

What is the InChIKey of 2,4-dichloro-N-[4-methyl-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopentan-2-yl]benzamide?

The InChIKey is HVWBFVINZQKPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O2S/c1-12(2)9-17(20(26)24(4)11-18-13(3)7-8-27-18)23-19(25)15-6-5-14(21)10-16(15)22/h5-8,10,12,17H,9,11H2,1-4H3,(H,23,25).

What are the key properties of 2,4-dichloro-N-[4-methyl-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopentan-2-yl]benzamide?

2,4-dichloro-N-[4-methyl-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopentan-2-yl]benzamide has a molecular weight of 427.40 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-[4-methyl-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 55364382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).