N-[5-cyano-1-(2,4-difluorophenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxoindol-3-yl]-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide

C36H40F2N6O5S — CID 67163720

IUPACN-[5-cyano-1-(2,4-difluorophenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxoindol-3-yl]-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide
SMILESCCOc1ccccc1C1(NC(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)C(=O)N(S(=O)(=O)c2ccc(F)cc2F)c2ccc(C#N)cc21
InChIInChI=1S/C36H40F2N6O5S/c1-4-49-32-8-6-5-7-28(32)36(40-35(46)43-15-13-27(14-16-43)42-19-17-41(18-20-42)24(2)3)29-21-25(23-39)9-11-31(29)44(34(36)45)50(47,48)33-12-10-26(37)22-30(33)38/h5-12,21-22,24,27H,4,13-20H2,1-3H3,(H,40,46)
InChIKeyRPCGGIRKXSCMMW-UHFFFAOYSA-N
MW706.82 g/mol
LogP4.41
Rot. Bonds8

About N-[5-cyano-1-(2,4-difluorophenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxoindol-3-yl]-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide

N-[5-cyano-1-(2,4-difluorophenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxoindol-3-yl]-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide (PubChem CID 67163720) has the molecular formula C36H40F2N6O5S and a molecular weight of 706.82 g/mol. Its IUPAC name is N-[5-cyano-1-(2,4-difluorophenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxoindol-3-yl]-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-1-(2,4-difluorophenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxoindol-3-yl]-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide
PubChem CID67163720
Molecular FormulaC36H40F2N6O5S
Molecular Weight706.82 g/mol
Exact Mass706.27
IUPAC NameN-[5-cyano-1-(2,4-difluorophenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxoindol-3-yl]-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide
SMILESCCOc1ccccc1C1(NC(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)C(=O)N(S(=O)(=O)c2ccc(F)cc2F)c2ccc(C#N)cc21
InChIInChI=1S/C36H40F2N6O5S/c1-4-49-32-8-6-5-7-28(32)36(40-35(46)43-15-13-27(14-16-43)42-19-17-41(18-20-42)24(2)3)29-21-25(23-39)9-11-31(29)44(34(36)45)50(47,48)33-12-10-26(37)22-30(33)38/h5-12,21-22,24,27H,4,13-20H2,1-3H3,(H,40,46)
InChIKeyRPCGGIRKXSCMMW-UHFFFAOYSA-N
XLogP4.41
TPSA126.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500706.82
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-cyano-1-(2,4-difluorophenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxoindol-3-yl]-4-(4-propan-2-ylpiperazin-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-[5-cyano-1-(2,4-difluorophenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxoindol-3-yl]-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-[5-cyano-1-(2,4-difluorophenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxoindol-3-yl]-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide (CID 67163720) is N-[5-cyano-1-(2,4-difluorophenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxoindol-3-yl]-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[5-cyano-1-(2,4-difluorophenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxoindol-3-yl]-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[5-cyano-1-(2,4-difluorophenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxoindol-3-yl]-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide is CCOc1ccccc1C1(NC(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)C(=O)N(S(=O)(=O)c2ccc(F)cc2F)c2ccc(C#N)cc21.
What is the InChIKey of N-[5-cyano-1-(2,4-difluorophenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxoindol-3-yl]-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide?
The InChIKey is RPCGGIRKXSCMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40F2N6O5S/c1-4-49-32-8-6-5-7-28(32)36(40-35(46)43-15-13-27(14-16-43)42-19-17-41(18-20-42)24(2)3)29-21-25(23-39)9-11-31(29)44(34(36)45)50(47,48)33-12-10-26(37)22-30(33)38/h5-12,21-22,24,27H,4,13-20H2,1-3H3,(H,40,46).
What are the key properties of N-[5-cyano-1-(2,4-difluorophenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxoindol-3-yl]-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide?
N-[5-cyano-1-(2,4-difluorophenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxoindol-3-yl]-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide has a molecular weight of 706.82 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-1-(2,4-difluorophenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxoindol-3-yl]-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 67163720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).