phenyl N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]carbamate

C31H26N4O8S — CID 140657510

IUPACphenyl N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]carbamate
SMILESCCOc1ncccc1[C@]1(NC(=O)Oc2ccccc2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(C#N)cc21
InChIInChI=1S/C31H26N4O8S/c1-4-42-28-23(11-8-16-33-28)31(34-30(37)43-21-9-6-5-7-10-21)24-17-20(19-32)12-14-25(24)35(29(31)36)44(38,39)27-15-13-22(40-2)18-26(27)41-3/h5-18H,4H2,1-3H3,(H,34,37)/t31-/m1/s1
InChIKeyVIDMIOKASRFRJC-WJOKGBTCSA-N
MW614.64 g/mol
LogP4.14
Rot. Bonds9

About phenyl N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]carbamate

phenyl N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]carbamate (PubChem CID 140657510) has the molecular formula C31H26N4O8S and a molecular weight of 614.64 g/mol. Its IUPAC name is phenyl N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]carbamate
PubChem CID140657510
Molecular FormulaC31H26N4O8S
Molecular Weight614.64 g/mol
Exact Mass614.15
IUPAC Namephenyl N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]carbamate
SMILESCCOc1ncccc1[C@]1(NC(=O)Oc2ccccc2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(C#N)cc21
InChIInChI=1S/C31H26N4O8S/c1-4-42-28-23(11-8-16-33-28)31(34-30(37)43-21-9-6-5-7-10-21)24-17-20(19-32)12-14-25(24)35(29(31)36)44(38,39)27-15-13-22(40-2)18-26(27)41-3/h5-18H,4H2,1-3H3,(H,34,37)/t31-/m1/s1
InChIKeyVIDMIOKASRFRJC-WJOKGBTCSA-N
XLogP4.14
TPSA157.15 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500614.64
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-2-azaspiro[3.3]heptane-6-carboxamide
CID 118514282
N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-azaspiro[5.5]undecane-9-carboxamide
CID 118514227
N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
CID 118514241
N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(1-propylpiperidin-4-yl)piperidine-1-carboxamide
CID 90309649
N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-(4-oxopiperidin-1-yl)azetidine-1-carboxamide
CID 118173733
N-[(3R)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-6-(1-methylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide
CID 118514276
N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-2-(4-ethylpiperazin-1-yl)spiro[3.3]heptane-6-carboxamide
CID 118514144
N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]azetidine-1-carboxamide
CID 118175389
N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-6-(1-methylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide
CID 118514137
tert-butyl 3-[[1-[[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]carbamoyl]piperidin-4-yl]amino]azetidine-1-carboxylate
CID 90921527
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-[(3R)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-7-piperidin-4-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 118514164

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]carbamate?
The IUPAC name of phenyl N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]carbamate (CID 140657510) is phenyl N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]carbamate.
What is the SMILES notation for phenyl N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]carbamate?
The canonical SMILES for phenyl N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]carbamate is CCOc1ncccc1[C@]1(NC(=O)Oc2ccccc2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(C#N)cc21.
What is the InChIKey of phenyl N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]carbamate?
The InChIKey is VIDMIOKASRFRJC-WJOKGBTCSA-N. The full InChI is InChI=1S/C31H26N4O8S/c1-4-42-28-23(11-8-16-33-28)31(34-30(37)43-21-9-6-5-7-10-21)24-17-20(19-32)12-14-25(24)35(29(31)36)44(38,39)27-15-13-22(40-2)18-26(27)41-3/h5-18H,4H2,1-3H3,(H,34,37)/t31-/m1/s1.
What are the key properties of phenyl N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]carbamate?
phenyl N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]carbamate has a molecular weight of 614.64 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]carbamate is sourced from PubChem (CID 140657510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).