N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-6-fluoro-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperidine-1-carboxamide

C35H41ClFN5O7S — CID 141248613

About N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-6-fluoro-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperidine-1-carboxamide

N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-6-fluoro-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperidine-1-carboxamide (PubChem CID 141248613) has the molecular formula C35H41ClFN5O7S and a molecular weight of 730.26 g/mol. Its IUPAC name is N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-6-fluoro-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-6-fluoro-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperidine-1-carboxamide
• PubChem CID: 141248613
• Molecular Formula: C35H41ClFN5O7S
• Molecular Weight: 730.26 g/mol
• Exact Mass: 729.24
• IUPAC Name: N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-6-fluoro-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperidine-1-carboxamide
• SMILES: CCOc1ncccc1C1(NC(=O)N2CCC(C3CCN(C)CC3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2cc(F)c(Cl)cc21
• InChI: InChI=1S/C35H41ClFN5O7S/c1-5-49-32-25(7-6-14-38-32)35(39-34(44)41-17-12-23(13-18-41)22-10-15-40(2)16-11-22)26-20-27(36)28(37)21-29(26)42(33(35)43)50(45,46)31-9-8-24(47-3)19-30(31)48-4/h6-9,14,19-23H,5,10-13,15-18H2,1-4H3,(H,39,44)
• InChIKey: FNWZQQUORXDQAV-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 130.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.26
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-6-fluoro-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperidine-1-carboxamide?

The IUPAC name of N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-6-fluoro-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperidine-1-carboxamide (CID 141248613) is N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-6-fluoro-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperidine-1-carboxamide.

What is the SMILES notation for N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-6-fluoro-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperidine-1-carboxamide?

The canonical SMILES for N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-6-fluoro-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperidine-1-carboxamide is CCOc1ncccc1C1(NC(=O)N2CCC(C3CCN(C)CC3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2cc(F)c(Cl)cc21.

What is the InChIKey of N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-6-fluoro-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperidine-1-carboxamide?

The InChIKey is FNWZQQUORXDQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41ClFN5O7S/c1-5-49-32-25(7-6-14-38-32)35(39-34(44)41-17-12-23(13-18-41)22-10-15-40(2)16-11-22)26-20-27(36)28(37)21-29(26)42(33(35)43)50(45,46)31-9-8-24(47-3)19-30(31)48-4/h6-9,14,19-23H,5,10-13,15-18H2,1-4H3,(H,39,44).

What are the key properties of N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-6-fluoro-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperidine-1-carboxamide?

N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-6-fluoro-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperidine-1-carboxamide has a molecular weight of 730.26 g/mol, XLogP of 5.03, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-6-fluoro-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 141248613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).