3,4-dichloro-N-[2-[[4-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propylbenzamide

C24H24Cl2N4O3S — CID 42779099

About 3,4-dichloro-N-[2-[[4-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propylbenzamide

3,4-dichloro-N-[2-[[4-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propylbenzamide (PubChem CID 42779099) has the molecular formula C24H24Cl2N4O3S and a molecular weight of 519.45 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[[4-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propylbenzamide.

Molecular Properties

• Compound Name: 3,4-dichloro-N-[2-[[4-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propylbenzamide
• PubChem CID: 42779099
• Molecular Formula: C24H24Cl2N4O3S
• Molecular Weight: 519.45 g/mol
• Exact Mass: 518.09
• IUPAC Name: 3,4-dichloro-N-[2-[[4-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propylbenzamide
• SMILES: CCCN(CC(=O)Nc1nc(CC(=O)Nc2ccc(C)cc2)cs1)C(=O)c1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C24H24Cl2N4O3S/c1-3-10-30(23(33)16-6-9-19(25)20(26)11-16)13-22(32)29-24-28-18(14-34-24)12-21(31)27-17-7-4-15(2)5-8-17/h4-9,11,14H,3,10,12-13H2,1-2H3,(H,27,31)(H,28,29,32)
• InChIKey: GSDLGOKHJMLFPU-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 91.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.45
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[[4-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propylbenzamide?

The IUPAC name of 3,4-dichloro-N-[2-[[4-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propylbenzamide (CID 42779099) is 3,4-dichloro-N-[2-[[4-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propylbenzamide.

What is the SMILES notation for 3,4-dichloro-N-[2-[[4-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propylbenzamide?

The canonical SMILES for 3,4-dichloro-N-[2-[[4-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propylbenzamide is CCCN(CC(=O)Nc1nc(CC(=O)Nc2ccc(C)cc2)cs1)C(=O)c1ccc(Cl)c(Cl)c1.

What is the InChIKey of 3,4-dichloro-N-[2-[[4-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propylbenzamide?

The InChIKey is GSDLGOKHJMLFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O3S/c1-3-10-30(23(33)16-6-9-19(25)20(26)11-16)13-22(32)29-24-28-18(14-34-24)12-21(31)27-17-7-4-15(2)5-8-17/h4-9,11,14H,3,10,12-13H2,1-2H3,(H,27,31)(H,28,29,32).

What are the key properties of 3,4-dichloro-N-[2-[[4-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propylbenzamide?

3,4-dichloro-N-[2-[[4-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propylbenzamide has a molecular weight of 519.45 g/mol, XLogP of 5.43, 9 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-[[4-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propylbenzamide is sourced from PubChem (CID 42779099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).