2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide

C23H25N3O2S3 — CID 112763381

About 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide

2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 112763381) has the molecular formula C23H25N3O2S3 and a molecular weight of 471.67 g/mol. Its IUPAC name is 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
• PubChem CID: 112763381
• Molecular Formula: C23H25N3O2S3
• Molecular Weight: 471.67 g/mol
• Exact Mass: 471.11
• IUPAC Name: 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
• SMILES: CN(C(=O)CSc1ccccc1C(=O)Nc1nc(-c2cccs2)cs1)C1CCCCC1
• InChI: InChI=1S/C23H25N3O2S3/c1-26(16-8-3-2-4-9-16)21(27)15-30-19-11-6-5-10-17(19)22(28)25-23-24-18(14-31-23)20-12-7-13-29-20/h5-7,10-14,16H,2-4,8-9,15H2,1H3,(H,24,25,28)
• InChIKey: RQRPFQOXCUMNCD-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.67
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide (CID 112763381) is 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide.

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

The canonical SMILES for 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide is CN(C(=O)CSc1ccccc1C(=O)Nc1nc(-c2cccs2)cs1)C1CCCCC1.

What is the InChIKey of 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?

The InChIKey is RQRPFQOXCUMNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S3/c1-26(16-8-3-2-4-9-16)21(27)15-30-19-11-6-5-10-17(19)22(28)25-23-24-18(14-31-23)20-12-7-13-29-20/h5-7,10-14,16H,2-4,8-9,15H2,1H3,(H,24,25,28).

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

2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 471.67 g/mol, XLogP of 6.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 112763381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).