N-[4-[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide

C24H23Cl2N3O2S2 — CID 19712134

About N-[4-[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide

N-[4-[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide (PubChem CID 19712134) has the molecular formula C24H23Cl2N3O2S2 and a molecular weight of 520.51 g/mol. Its IUPAC name is N-[4-[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide
• PubChem CID: 19712134
• Molecular Formula: C24H23Cl2N3O2S2
• Molecular Weight: 520.51 g/mol
• Exact Mass: 519.06
• IUPAC Name: N-[4-[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide
• SMILES: O=C(CSc1ccc(NC(=O)C2CCCCC2)cc1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1
• InChI: InChI=1S/C24H23Cl2N3O2S2/c25-16-6-11-19(20(26)12-16)21-13-33-24(28-21)29-22(30)14-32-18-9-7-17(8-10-18)27-23(31)15-4-2-1-3-5-15/h6-13,15H,1-5,14H2,(H,27,31)(H,28,29,30)
• InChIKey: OVLDSZQQMZFGMK-UHFFFAOYSA-N
• XLogP: 7.37
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.51
LogP ≤ 5	7.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide?

The IUPAC name of N-[4-[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide (CID 19712134) is N-[4-[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide.

What is the SMILES notation for N-[4-[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide?

The canonical SMILES for N-[4-[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide is O=C(CSc1ccc(NC(=O)C2CCCCC2)cc1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1.

What is the InChIKey of N-[4-[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide?

The InChIKey is OVLDSZQQMZFGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N3O2S2/c25-16-6-11-19(20(26)12-16)21-13-33-24(28-21)29-22(30)14-32-18-9-7-17(8-10-18)27-23(31)15-4-2-1-3-5-15/h6-13,15H,1-5,14H2,(H,27,31)(H,28,29,30).

What are the key properties of N-[4-[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide?

N-[4-[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide has a molecular weight of 520.51 g/mol, XLogP of 7.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide is sourced from PubChem (CID 19712134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).