3,4-dichloro-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide

C19H17Cl2N3O2S2 — CID 42575181

About 3,4-dichloro-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide

3,4-dichloro-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide (PubChem CID 42575181) has the molecular formula C19H17Cl2N3O2S2 and a molecular weight of 454.40 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 3,4-dichloro-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide
• PubChem CID: 42575181
• Molecular Formula: C19H17Cl2N3O2S2
• Molecular Weight: 454.40 g/mol
• Exact Mass: 453.01
• IUPAC Name: 3,4-dichloro-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide
• SMILES: Cc1nc(-c2ccc(CCNC(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)s2)cs1
• InChI: InChI=1S/C19H17Cl2N3O2S2/c1-11-24-16(10-27-11)17-5-3-13(28-17)6-7-22-18(25)9-23-19(26)12-2-4-14(20)15(21)8-12/h2-5,8,10H,6-7,9H2,1H3,(H,22,25)(H,23,26)
• InChIKey: LJLGVSGHVMEGCM-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.40
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide?

The IUPAC name of 3,4-dichloro-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide (CID 42575181) is 3,4-dichloro-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide.

What is the SMILES notation for 3,4-dichloro-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide?

The canonical SMILES for 3,4-dichloro-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide is Cc1nc(-c2ccc(CCNC(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)s2)cs1.

What is the InChIKey of 3,4-dichloro-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide?

The InChIKey is LJLGVSGHVMEGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2S2/c1-11-24-16(10-27-11)17-5-3-13(28-17)6-7-22-18(25)9-23-19(26)12-2-4-14(20)15(21)8-12/h2-5,8,10H,6-7,9H2,1H3,(H,22,25)(H,23,26).

What are the key properties of 3,4-dichloro-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide?

3,4-dichloro-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide has a molecular weight of 454.40 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dichloro-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 42575181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).