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

C24H32N4O3S — CID 141378690

IUPAC2-[1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-5-methylindol-3-yl]-N,N-dimethylethanamine
SMILESCOc1ccc(S(=O)(=O)n2cc(CCN(C)C)c3cc(C)ccc32)cc1N1CCNCC1
InChIInChI=1S/C24H32N4O3S/c1-18-5-7-22-21(15-18)19(9-12-26(2)3)17-28(22)32(29,30)20-6-8-24(31-4)23(16-20)27-13-10-25-11-14-27/h5-8,15-17,25H,9-14H2,1-4H3
InChIKeyQVMDQEJRQODIHC-UHFFFAOYSA-N
MW456.61 g/mol
LogP2.71
Rot. Bonds7

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

2-[1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-5-methylindol-3-yl]-N,N-dimethylethanamine (PubChem CID 141378690) has the molecular formula C24H32N4O3S and a molecular weight of 456.61 g/mol. Its IUPAC name is 2-[1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-5-methylindol-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-5-methylindol-3-yl]-N,N-dimethylethanamine
PubChem CID141378690
Molecular FormulaC24H32N4O3S
Molecular Weight456.61 g/mol
Exact Mass456.22
IUPAC Name2-[1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-5-methylindol-3-yl]-N,N-dimethylethanamine
SMILESCOc1ccc(S(=O)(=O)n2cc(CCN(C)C)c3cc(C)ccc32)cc1N1CCNCC1
InChIInChI=1S/C24H32N4O3S/c1-18-5-7-22-21(15-18)19(9-12-26(2)3)17-28(22)32(29,30)20-6-8-24(31-4)23(16-20)27-13-10-25-11-14-27/h5-8,15-17,25H,9-14H2,1-4H3
InChIKeyQVMDQEJRQODIHC-UHFFFAOYSA-N
XLogP2.71
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-5-methylindol-3-yl]-N,N-dimethylethanamine with MolForge

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Related Compounds

2-[5-methoxy-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine
CID 141378685
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
1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole-3-carbonitrile
CID 118181405
4-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole
CID 118181436
2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine;hydrochloride
CID 21258551
3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonyl-6-methylindole
CID 122520140
3-(difluoromethyl)-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-6-methylindole
CID 122520138
6-bromo-3-(difluoromethyl)-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindazole
CID 118181450
1-(2-methoxy-4-methylphenyl)piperazine
CID 10488507
3-[1-(3-chloro-4-methoxyphenyl)sulfonyl-5-methoxyindol-3-yl]propanal
CID 89159769

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-5-methylindol-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-5-methylindol-3-yl]-N,N-dimethylethanamine (CID 141378690) is 2-[1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-5-methylindol-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-5-methylindol-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-5-methylindol-3-yl]-N,N-dimethylethanamine is COc1ccc(S(=O)(=O)n2cc(CCN(C)C)c3cc(C)ccc32)cc1N1CCNCC1.
What is the InChIKey of 2-[1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-5-methylindol-3-yl]-N,N-dimethylethanamine?
The InChIKey is QVMDQEJRQODIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3S/c1-18-5-7-22-21(15-18)19(9-12-26(2)3)17-28(22)32(29,30)20-6-8-24(31-4)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-[1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-5-methylindol-3-yl]-N,N-dimethylethanamine?
2-[1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-5-methylindol-3-yl]-N,N-dimethylethanamine has a molecular weight of 456.61 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-5-methylindol-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 141378690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).