N-[1-(2,4-dimethoxyphenyl)sulfonyl-5-methoxy-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;dihydrochloride

C35H45Cl2N5O8S — CID 11498696

IUPACN-[1-(2,4-dimethoxyphenyl)sulfonyl-5-methoxy-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;dihydrochloride
SMILESCOc1ccc(S(=O)(=O)N2C(=O)C(NC(=O)N3CCN(C4CCN(C)CC4)CC3)(c3ccccc3OC)c3cc(OC)ccc32)c(OC)c1.Cl.Cl
InChIInChI=1S/C35H43N5O8S.2ClH/c1-37-16-14-24(15-17-37)38-18-20-39(21-19-38)34(42)36-35(27-8-6-7-9-30(27)47-4)28-22-25(45-2)10-12-29(28)40(33(35)41)49(43,44)32-13-11-26(46-3)23-31(32)48-5;;/h6-13,22-24H,14-21H2,1-5H3,(H,36,42);2*1H
InChIKeyRKDQFBACDIAZSK-UHFFFAOYSA-N
MW766.75 g/mol
LogP3.97
Rot. Bonds9

About N-[1-(2,4-dimethoxyphenyl)sulfonyl-5-methoxy-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;dihydrochloride

N-[1-(2,4-dimethoxyphenyl)sulfonyl-5-methoxy-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;dihydrochloride (PubChem CID 11498696) has the molecular formula C35H45Cl2N5O8S and a molecular weight of 766.75 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)sulfonyl-5-methoxy-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)sulfonyl-5-methoxy-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;dihydrochloride
PubChem CID11498696
Molecular FormulaC35H45Cl2N5O8S
Molecular Weight766.75 g/mol
Exact Mass765.24
IUPAC NameN-[1-(2,4-dimethoxyphenyl)sulfonyl-5-methoxy-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;dihydrochloride
SMILESCOc1ccc(S(=O)(=O)N2C(=O)C(NC(=O)N3CCN(C4CCN(C)CC4)CC3)(c3ccccc3OC)c3cc(OC)ccc32)c(OC)c1.Cl.Cl
InChIInChI=1S/C35H43N5O8S.2ClH/c1-37-16-14-24(15-17-37)38-18-20-39(21-19-38)34(42)36-35(27-8-6-7-9-30(27)47-4)28-22-25(45-2)10-12-29(28)40(33(35)41)49(43,44)32-13-11-26(46-3)23-31(32)48-5;;/h6-13,22-24H,14-21H2,1-5H3,(H,36,42);2*1H
InChIKeyRKDQFBACDIAZSK-UHFFFAOYSA-N
XLogP3.97
TPSA130.19 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500766.75
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxoindol-3-yl]-4-(4-methylpiperazin-1-yl)piperidine-1-carboxamide
CID 67160560
N-[5-chloro-3-(2-ethoxyphenyl)-1-(2-methoxy-4-methylphenyl)sulfonyl-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 67165058
N-[5-chloro-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 90421835
N-[(3S)-5-cyano-3-(2,5-dimethoxyphenyl)-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl]-3-(4-morpholin-4-ylpiperidin-1-yl)azetidine-1-carboxamide
CID 118175328
N-[5-chloro-3-[2-(2,2-difluoroethoxy)phenyl]-1-(2,4-dimethoxyphenyl)sulfonyl-6-fluoro-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperidine-1-carboxamide
CID 141248610
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
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
[5-methoxy-1-(2-methoxy-4-methylphenyl)sulfonyl-2-oxo-3-(2-propoxyphenyl)indol-3-yl] 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylate;dihydrochloride
CID 67163594
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-[5-cyano-3-(2-ethoxyphenyl)-1-(2-methoxyphenyl)sulfonyl-2-oxoindol-3-yl]-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide
CID 67164979
N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-(4-pyrrolidin-1-ylpiperidin-1-yl)azetidine-1-carboxamide
CID 118173742
N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-5-methyl-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide
CID 141242934

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)sulfonyl-5-methoxy-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;dihydrochloride?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)sulfonyl-5-methoxy-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;dihydrochloride (CID 11498696) is N-[1-(2,4-dimethoxyphenyl)sulfonyl-5-methoxy-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)sulfonyl-5-methoxy-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)sulfonyl-5-methoxy-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;dihydrochloride is COc1ccc(S(=O)(=O)N2C(=O)C(NC(=O)N3CCN(C4CCN(C)CC4)CC3)(c3ccccc3OC)c3cc(OC)ccc32)c(OC)c1.Cl.Cl.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)sulfonyl-5-methoxy-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;dihydrochloride?
The InChIKey is RKDQFBACDIAZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N5O8S.2ClH/c1-37-16-14-24(15-17-37)38-18-20-39(21-19-38)34(42)36-35(27-8-6-7-9-30(27)47-4)28-22-25(45-2)10-12-29(28)40(33(35)41)49(43,44)32-13-11-26(46-3)23-31(32)48-5;;/h6-13,22-24H,14-21H2,1-5H3,(H,36,42);2*1H.
What are the key properties of N-[1-(2,4-dimethoxyphenyl)sulfonyl-5-methoxy-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;dihydrochloride?
N-[1-(2,4-dimethoxyphenyl)sulfonyl-5-methoxy-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;dihydrochloride has a molecular weight of 766.75 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)sulfonyl-5-methoxy-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;dihydrochloride is sourced from PubChem (CID 11498696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).