2-[5-methoxy-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine

C24H32N4O4S — CID 141378685

IUPAC2-[5-methoxy-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)c1ccc(OC)c(N2CCNCC2)c1
InChIInChI=1S/C24H32N4O4S/c1-26(2)12-9-18-17-28(22-7-5-19(31-3)15-21(18)22)33(29,30)20-6-8-24(32-4)23(16-20)27-13-10-25-11-14-27/h5-8,15-17,25H,9-14H2,1-4H3
InChIKeyAEDABPBVSDPKJN-UHFFFAOYSA-N
MW472.61 g/mol
LogP2.41
Rot. Bonds8

About 2-[5-methoxy-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine

2-[5-methoxy-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine (PubChem CID 141378685) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is 2-[5-methoxy-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-methoxy-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine
PubChem CID141378685
Molecular FormulaC24H32N4O4S
Molecular Weight472.61 g/mol
Exact Mass472.21
IUPAC Name2-[5-methoxy-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)c1ccc(OC)c(N2CCNCC2)c1
InChIInChI=1S/C24H32N4O4S/c1-26(2)12-9-18-17-28(22-7-5-19(31-3)15-21(18)22)33(29,30)20-6-8-24(32-4)23(16-20)27-13-10-25-11-14-27/h5-8,15-17,25H,9-14H2,1-4H3
InChIKeyAEDABPBVSDPKJN-UHFFFAOYSA-N
XLogP2.41
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-5-methylindol-3-yl]-N,N-dimethylethanamine
CID 141378690
2-[6-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine
CID 141378699
2,2,2-trichloro-1-[4-[5-[3-[2-(dimethylamino)ethyl]-5-fluoroindol-1-yl]sulfonyl-2-methoxyphenyl]piperazin-1-yl]ethanone
CID 141378695
2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine;hydrochloride
CID 21258548
2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine;hydrochloride
CID 21258551
1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole-3-carbonitrile
CID 118181405
3-[1-(3-chloro-4-methoxyphenyl)sulfonyl-5-methoxyindol-3-yl]propanal
CID 89159769
4-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole
CID 118181436
3-[1-(3,4-dimethylphenyl)sulfonyl-5-methoxyindol-3-yl]propanoic acid
CID 142993192
3-[5-methoxy-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]indol-3-yl]propanoic acid
CID 58837727
2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanol
CID 21258558
bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone
CID 166467355

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-methoxy-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine (CID 141378685) is 2-[5-methoxy-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-methoxy-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-methoxy-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine is COc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)c1ccc(OC)c(N2CCNCC2)c1.
What is the InChIKey of 2-[5-methoxy-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine?
The InChIKey is AEDABPBVSDPKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-26(2)12-9-18-17-28(22-7-5-19(31-3)15-21(18)22)33(29,30)20-6-8-24(32-4)23(16-20)27-13-10-25-11-14-27/h5-8,15-17,25H,9-14H2,1-4H3.
What are the key properties of 2-[5-methoxy-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine?
2-[5-methoxy-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine has a molecular weight of 472.61 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 141378685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).