N-[(3S)-1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide;N-[5-cyano-1-(4-cyanophenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide

C71H77N15O12S2 — CID 90421752

IUPACN-[(3S)-1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide;N-[5-cyano-1-(4-cyanophenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide
SMILESCCOc1ncccc1C1(NC(=O)N2CCN(C3CCN(C4COC4)CC3)CC2)C(=O)N(S(=O)(=O)c2ccc(C#N)cc2)c2ccc(C#N)cc21.CCOc1ncccc1[C@]1(NC(=O)N2CCN(C3CCN(C4COC4)CC3)CC2)C(=O)N(S(=O)(=O)c2ccccc2)c2ccc(C#N)cc21
InChIInChI=1S/C36H38N8O6S.C35H39N7O6S/c1-2-50-33-30(4-3-13-39-33)36(40-35(46)43-18-16-42(17-19-43)27-11-14-41(15-12-27)28-23-49-24-28)31-20-26(22-38)7-10-32(31)44(34(36)45)51(47,48)29-8-5-25(21-37)6-9-29;1-2-48-32-29(9-6-14-37-32)35(38-34(44)41-19-17-40(18-20-41)26-12-15-39(16-13-26)27-23-47-24-27)30-21-25(22-36)10-11-31(30)42(33(35)43)49(45,46)28-7-4-3-5-8-28/h3-10,13,20,27-28H,2,11-12,14-19,23-24H2,1H3,(H,40,46);3-11,14,21,26-27H,2,12-13,15-20,23-24H2,1H3,(H,38,44)/t;35-/m.1/s1
InChIKeyZTENSPXRBKLOOA-HWCUUPJCSA-N
MW1396.62 g/mol
LogP4.91
Rot. Bonds16

About N-[(3S)-1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide;N-[5-cyano-1-(4-cyanophenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide

N-[(3S)-1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide;N-[5-cyano-1-(4-cyanophenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide (PubChem CID 90421752) has the molecular formula C71H77N15O12S2 and a molecular weight of 1396.62 g/mol. Its IUPAC name is N-[(3S)-1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide;N-[5-cyano-1-(4-cyanophenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide;N-[5-cyano-1-(4-cyanophenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide
PubChem CID90421752
Molecular FormulaC71H77N15O12S2
Molecular Weight1396.62 g/mol
Exact Mass1395.53
IUPAC NameN-[(3S)-1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide;N-[5-cyano-1-(4-cyanophenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide
SMILESCCOc1ncccc1C1(NC(=O)N2CCN(C3CCN(C4COC4)CC3)CC2)C(=O)N(S(=O)(=O)c2ccc(C#N)cc2)c2ccc(C#N)cc21.CCOc1ncccc1[C@]1(NC(=O)N2CCN(C3CCN(C4COC4)CC3)CC2)C(=O)N(S(=O)(=O)c2ccccc2)c2ccc(C#N)cc21
InChIInChI=1S/C36H38N8O6S.C35H39N7O6S/c1-2-50-33-30(4-3-13-39-33)36(40-35(46)43-18-16-42(17-19-43)27-11-14-41(15-12-27)28-23-49-24-28)31-20-26(22-38)7-10-32(31)44(34(36)45)51(47,48)29-8-5-25(21-37)6-9-29;1-2-48-32-29(9-6-14-37-32)35(38-34(44)41-19-17-40(18-20-41)26-12-15-39(16-13-26)27-23-47-24-27)30-21-25(22-36)10-11-31(30)42(33(35)43)49(45,46)28-7-4-3-5-8-28/h3-10,13,20,27-28H,2,11-12,14-19,23-24H2,1H3,(H,40,46);3-11,14,21,26-27H,2,12-13,15-20,23-24H2,1H3,(H,38,44)/t;35-/m.1/s1
InChIKeyZTENSPXRBKLOOA-HWCUUPJCSA-N
XLogP4.91
TPSA320.61 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001396.62
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Analyze N-[(3S)-1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide;N-[5-cyano-1-(4-cyanophenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide
CID 67160067
N-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine-1-carboxamide
CID 67160357
N-[(3S)-5-cyano-1-(4-fluorophenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide
CID 129132508
N-[5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonyl-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 67160321
N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[4-(oxetan-3-yl)piperazin-1-yl]piperidine-1-carboxamide;N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide
CID 90421847
N-[(3S)-5-cyano-1-(4-cyano-2-fluorophenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide
CID 86272341
N-[(3R)-5-cyano-1-(4-cyanophenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-6-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide
CID 118514250
N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-[3-(oxetan-3-yl)azetidin-1-yl]piperidin-1-yl]azetidine-1-carboxamide
CID 118175380
N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-6-fluoro-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(5-fluoro-2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide
CID 126503761
1-(benzenesulfonyl)-3-(2-ethoxy-3-pyridinyl)-3-[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-2-oxoindole-5-carbonitrile
CID 42634317
N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[(1S,4S)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidine-1-carboxamide;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide
CID 126503760
N-[5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(4-fluorophenyl)sulfonyl-2-oxoindol-3-yl]-6-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide
CID 118514292

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide;N-[5-cyano-1-(4-cyanophenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-[(3S)-1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide;N-[5-cyano-1-(4-cyanophenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide (CID 90421752) is N-[(3S)-1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide;N-[5-cyano-1-(4-cyanophenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(3S)-1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide;N-[5-cyano-1-(4-cyanophenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-[(3S)-1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide;N-[5-cyano-1-(4-cyanophenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide is CCOc1ncccc1C1(NC(=O)N2CCN(C3CCN(C4COC4)CC3)CC2)C(=O)N(S(=O)(=O)c2ccc(C#N)cc2)c2ccc(C#N)cc21.CCOc1ncccc1[C@]1(NC(=O)N2CCN(C3CCN(C4COC4)CC3)CC2)C(=O)N(S(=O)(=O)c2ccccc2)c2ccc(C#N)cc21.
What is the InChIKey of N-[(3S)-1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide;N-[5-cyano-1-(4-cyanophenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide?
The InChIKey is ZTENSPXRBKLOOA-HWCUUPJCSA-N. The full InChI is InChI=1S/C36H38N8O6S.C35H39N7O6S/c1-2-50-33-30(4-3-13-39-33)36(40-35(46)43-18-16-42(17-19-43)27-11-14-41(15-12-27)28-23-49-24-28)31-20-26(22-38)7-10-32(31)44(34(36)45)51(47,48)29-8-5-25(21-37)6-9-29;1-2-48-32-29(9-6-14-37-32)35(38-34(44)41-19-17-40(18-20-41)26-12-15-39(16-13-26)27-23-47-24-27)30-21-25(22-36)10-11-31(30)42(33(35)43)49(45,46)28-7-4-3-5-8-28/h3-10,13,20,27-28H,2,11-12,14-19,23-24H2,1H3,(H,40,46);3-11,14,21,26-27H,2,12-13,15-20,23-24H2,1H3,(H,38,44)/t;35-/m.1/s1.
What are the key properties of N-[(3S)-1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide;N-[5-cyano-1-(4-cyanophenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide?
N-[(3S)-1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide;N-[5-cyano-1-(4-cyanophenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide has a molecular weight of 1396.62 g/mol, XLogP of 4.91, 16 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide;N-[5-cyano-1-(4-cyanophenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 90421752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).