N-(3-chloro-4-methylphenyl)-2-[(5R)-2-[(3R)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide

C28H24Cl2N4O3S — CID 98190221

About N-(3-chloro-4-methylphenyl)-2-[(5R)-2-[(3R)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide

N-(3-chloro-4-methylphenyl)-2-[(5R)-2-[(3R)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide (PubChem CID 98190221) has the molecular formula C28H24Cl2N4O3S and a molecular weight of 567.50 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[(5R)-2-[(3R)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(3-chloro-4-methylphenyl)-2-[(5R)-2-[(3R)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
• PubChem CID: 98190221
• Molecular Formula: C28H24Cl2N4O3S
• Molecular Weight: 567.50 g/mol
• Exact Mass: 566.09
• IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[(5R)-2-[(3R)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
• SMILES: COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2C2=NC(=O)[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)S2)cc1
• InChI: InChI=1S/C28H24Cl2N4O3S/c1-16-3-10-20(13-22(16)30)31-26(35)15-25-27(36)32-28(38-25)34-24(18-6-11-21(37-2)12-7-18)14-23(33-34)17-4-8-19(29)9-5-17/h3-13,24-25H,14-15H2,1-2H3,(H,31,35)/t24-,25-/m1/s1
• InChIKey: IXAOOXUVRFAYGP-JWQCQUIFSA-N
• XLogP: 6.49
• TPSA: 83.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.50
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(5R)-2-[(3R)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide?

The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(5R)-2-[(3R)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide (CID 98190221) is N-(3-chloro-4-methylphenyl)-2-[(5R)-2-[(3R)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide.

What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[(5R)-2-[(3R)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide?

The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[(5R)-2-[(3R)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide is COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2C2=NC(=O)[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)S2)cc1.

What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[(5R)-2-[(3R)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide?

The InChIKey is IXAOOXUVRFAYGP-JWQCQUIFSA-N. The full InChI is InChI=1S/C28H24Cl2N4O3S/c1-16-3-10-20(13-22(16)30)31-26(35)15-25-27(36)32-28(38-25)34-24(18-6-11-21(37-2)12-7-18)14-23(33-34)17-4-8-19(29)9-5-17/h3-13,24-25H,14-15H2,1-2H3,(H,31,35)/t24-,25-/m1/s1.

What are the key properties of N-(3-chloro-4-methylphenyl)-2-[(5R)-2-[(3R)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide?

N-(3-chloro-4-methylphenyl)-2-[(5R)-2-[(3R)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide has a molecular weight of 567.50 g/mol, XLogP of 6.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-methylphenyl)-2-[(5R)-2-[(3R)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 98190221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).