N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-5-methyl-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide

C36H45ClN6O7S — CID 141242934

About N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-5-methyl-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide

N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-5-methyl-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide (PubChem CID 141242934) has the molecular formula C36H45ClN6O7S and a molecular weight of 741.31 g/mol. Its IUPAC name is N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-5-methyl-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-5-methyl-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide
• PubChem CID: 141242934
• Molecular Formula: C36H45ClN6O7S
• Molecular Weight: 741.31 g/mol
• Exact Mass: 740.28
• IUPAC Name: N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-5-methyl-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide
• SMILES: CCOc1ncc(C)cc1C1(NC(=O)N2CCC(N3CCN(CC)CC3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(Cl)cc21
• InChI: InChI=1S/C36H45ClN6O7S/c1-6-40-16-18-41(19-17-40)26-12-14-42(15-13-26)35(45)39-36(29-20-24(3)23-38-33(29)50-7-2)28-21-25(37)8-10-30(28)43(34(36)44)51(46,47)32-11-9-27(48-4)22-31(32)49-5/h8-11,20-23,26H,6-7,12-19H2,1-5H3,(H,39,45)
• InChIKey: GOQUFUPSTJJYLZ-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 133.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	741.31
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-5-methyl-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide?

The IUPAC name of N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-5-methyl-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide (CID 141242934) is N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-5-methyl-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide.

What is the SMILES notation for N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-5-methyl-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide?

The canonical SMILES for N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-5-methyl-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide is CCOc1ncc(C)cc1C1(NC(=O)N2CCC(N3CCN(CC)CC3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(Cl)cc21.

What is the InChIKey of N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-5-methyl-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide?

The InChIKey is GOQUFUPSTJJYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45ClN6O7S/c1-6-40-16-18-41(19-17-40)26-12-14-42(15-13-26)35(45)39-36(29-20-24(3)23-38-33(29)50-7-2)28-21-25(37)8-10-30(28)43(34(36)44)51(46,47)32-11-9-27(48-4)22-31(32)49-5/h8-11,20-23,26H,6-7,12-19H2,1-5H3,(H,39,45).

What are the key properties of N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-5-methyl-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide?

N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-5-methyl-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide has a molecular weight of 741.31 g/mol, XLogP of 4.25, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-5-methyl-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 141242934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).