N-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide

C34H39N7O5S — CID 67160067

IUPACN-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide
SMILESCCOc1ncccc1C1(NC(=O)N2CCC(N3CCN(CC)CC3)CC2)C(=O)N(S(=O)(=O)c2ccccc2)c2ccc(C#N)cc21
InChIInChI=1S/C34H39N7O5S/c1-3-38-19-21-39(22-20-38)26-14-17-40(18-15-26)33(43)37-34(28-11-8-16-36-31(28)46-4-2)29-23-25(24-35)12-13-30(29)41(32(34)42)47(44,45)27-9-6-5-7-10-27/h5-13,16,23,26H,3-4,14-15,17-22H2,1-2H3,(H,37,43)
InChIKeyRXKNBKJVJUZJJL-UHFFFAOYSA-N
MW657.80 g/mol
LogP3.14
Rot. Bonds8

About N-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide

N-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide (PubChem CID 67160067) has the molecular formula C34H39N7O5S and a molecular weight of 657.80 g/mol. Its IUPAC name is N-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide
PubChem CID67160067
Molecular FormulaC34H39N7O5S
Molecular Weight657.80 g/mol
Exact Mass657.27
IUPAC NameN-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide
SMILESCCOc1ncccc1C1(NC(=O)N2CCC(N3CCN(CC)CC3)CC2)C(=O)N(S(=O)(=O)c2ccccc2)c2ccc(C#N)cc21
InChIInChI=1S/C34H39N7O5S/c1-3-38-19-21-39(22-20-38)26-14-17-40(18-15-26)33(43)37-34(28-11-8-16-36-31(28)46-4-2)29-23-25(24-35)12-13-30(29)41(32(34)42)47(44,45)27-9-6-5-7-10-27/h5-13,16,23,26H,3-4,14-15,17-22H2,1-2H3,(H,37,43)
InChIKeyRXKNBKJVJUZJJL-UHFFFAOYSA-N
XLogP3.14
TPSA139.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500657.80
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide (CID 67160067) is N-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide is CCOc1ncccc1C1(NC(=O)N2CCC(N3CCN(CC)CC3)CC2)C(=O)N(S(=O)(=O)c2ccccc2)c2ccc(C#N)cc21.
What is the InChIKey of N-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide?
The InChIKey is RXKNBKJVJUZJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N7O5S/c1-3-38-19-21-39(22-20-38)26-14-17-40(18-15-26)33(43)37-34(28-11-8-16-36-31(28)46-4-2)29-23-25(24-35)12-13-30(29)41(32(34)42)47(44,45)27-9-6-5-7-10-27/h5-13,16,23,26H,3-4,14-15,17-22H2,1-2H3,(H,37,43).
What are the key properties of N-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide?
N-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide has a molecular weight of 657.80 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 67160067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).