2-[6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclohexylacetamide;N-cyclohexyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide

C52H61ClN10O6S2 — CID 162215720

About 2-[6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclohexylacetamide;N-cyclohexyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide

2-[6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclohexylacetamide;N-cyclohexyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide (PubChem CID 162215720) has the molecular formula C52H61ClN10O6S2 and a molecular weight of 1021.71 g/mol. Its IUPAC name is 2-[6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclohexylacetamide;N-cyclohexyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclohexylacetamide;N-cyclohexyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide
• PubChem CID: 162215720
• Molecular Formula: C52H61ClN10O6S2
• Molecular Weight: 1021.71 g/mol
• Exact Mass: 1020.39
• IUPAC Name: 2-[6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclohexylacetamide;N-cyclohexyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide
• SMILES: Cc1c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)sc2ncn(CC(=O)NC3CCCCC3)c(=O)c12.Cc1c(C(=O)N2CCN(c3ccccc3)CC2)sc2ncn(CC(=O)NC3CCCCC3)c(=O)c12
• InChI: InChI=1S/C26H30ClN5O3S.C26H31N5O3S/c1-17-22-24(28-16-32(25(22)34)15-21(33)29-19-5-3-2-4-6-19)36-23(17)26(35)31-13-11-30(12-14-31)20-9-7-18(27)8-10-20;1-18-22-24(27-17-31(25(22)33)16-21(32)28-19-8-4-2-5-9-19)35-23(18)26(34)30-14-12-29(13-15-30)20-10-6-3-7-11-20/h7-10,16,19H,2-6,11-15H2,1H3,(H,29,33);3,6-7,10-11,17,19H,2,4-5,8-9,12-16H2,1H3,(H,28,32)
• InChIKey: ZTLAIVAAUDDMRO-UHFFFAOYSA-N
• XLogP: 7.01
• TPSA: 175.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1021.71
LogP ≤ 5	7.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclohexylacetamide;N-cyclohexyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide?

The IUPAC name of 2-[6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclohexylacetamide;N-cyclohexyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide (CID 162215720) is 2-[6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclohexylacetamide;N-cyclohexyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide.

What is the SMILES notation for 2-[6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclohexylacetamide;N-cyclohexyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide?

The canonical SMILES for 2-[6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclohexylacetamide;N-cyclohexyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide is Cc1c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)sc2ncn(CC(=O)NC3CCCCC3)c(=O)c12.Cc1c(C(=O)N2CCN(c3ccccc3)CC2)sc2ncn(CC(=O)NC3CCCCC3)c(=O)c12.

What is the InChIKey of 2-[6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclohexylacetamide;N-cyclohexyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide?

The InChIKey is ZTLAIVAAUDDMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN5O3S.C26H31N5O3S/c1-17-22-24(28-16-32(25(22)34)15-21(33)29-19-5-3-2-4-6-19)36-23(17)26(35)31-13-11-30(12-14-31)20-9-7-18(27)8-10-20;1-18-22-24(27-17-31(25(22)33)16-21(32)28-19-8-4-2-5-9-19)35-23(18)26(34)30-14-12-29(13-15-30)20-10-6-3-7-11-20/h7-10,16,19H,2-6,11-15H2,1H3,(H,29,33);3,6-7,10-11,17,19H,2,4-5,8-9,12-16H2,1H3,(H,28,32).

What are the key properties of 2-[6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclohexylacetamide;N-cyclohexyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide?

2-[6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclohexylacetamide;N-cyclohexyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide has a molecular weight of 1021.71 g/mol, XLogP of 7.01, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclohexylacetamide;N-cyclohexyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 162215720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).