2-[5-(5-methoxy-3-methylindol-1-yl)sulfonyl-2-propan-2-ylphenoxy]-N,N-dimethylethanamine

C23H30N2O4S — CID 25104155

IUPAC2-[5-(5-methoxy-3-methylindol-1-yl)sulfonyl-2-propan-2-ylphenoxy]-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)c(C)cn2S(=O)(=O)c1ccc(C(C)C)c(OCCN(C)C)c1
InChIInChI=1S/C23H30N2O4S/c1-16(2)20-9-8-19(14-23(20)29-12-11-24(4)5)30(26,27)25-15-17(3)21-13-18(28-6)7-10-22(21)25/h7-10,13-16H,11-12H2,1-6H3
InChIKeyGORKGUFFIKBTRQ-UHFFFAOYSA-N
MW430.57 g/mol
LogP4.26
Rot. Bonds8

About 2-[5-(5-methoxy-3-methylindol-1-yl)sulfonyl-2-propan-2-ylphenoxy]-N,N-dimethylethanamine

2-[5-(5-methoxy-3-methylindol-1-yl)sulfonyl-2-propan-2-ylphenoxy]-N,N-dimethylethanamine (PubChem CID 25104155) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is 2-[5-(5-methoxy-3-methylindol-1-yl)sulfonyl-2-propan-2-ylphenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-(5-methoxy-3-methylindol-1-yl)sulfonyl-2-propan-2-ylphenoxy]-N,N-dimethylethanamine
PubChem CID25104155
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Name2-[5-(5-methoxy-3-methylindol-1-yl)sulfonyl-2-propan-2-ylphenoxy]-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)c(C)cn2S(=O)(=O)c1ccc(C(C)C)c(OCCN(C)C)c1
InChIInChI=1S/C23H30N2O4S/c1-16(2)20-9-8-19(14-23(20)29-12-11-24(4)5)30(26,27)25-15-17(3)21-13-18(28-6)7-10-22(21)25/h7-10,13-16H,11-12H2,1-6H3
InChIKeyGORKGUFFIKBTRQ-UHFFFAOYSA-N
XLogP4.26
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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MS-245
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3-(4-Chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-methoxy-1-(4-propan-2-ylphenyl)sulfonylindole
CID 56663077
3-(4-Chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(4-fluorophenyl)sulfonyl-5-methoxyindole
CID 56666540
1-(Benzenesulfonyl)-3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)-5-methoxyindole
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1-(2-Bromophenyl)sulfonyl-5-ethoxy-3-(1-methylpyrrolidin-3-yl)indole
CID 56670011

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-methoxy-3-methylindol-1-yl)sulfonyl-2-propan-2-ylphenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-(5-methoxy-3-methylindol-1-yl)sulfonyl-2-propan-2-ylphenoxy]-N,N-dimethylethanamine (CID 25104155) is 2-[5-(5-methoxy-3-methylindol-1-yl)sulfonyl-2-propan-2-ylphenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-(5-methoxy-3-methylindol-1-yl)sulfonyl-2-propan-2-ylphenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-(5-methoxy-3-methylindol-1-yl)sulfonyl-2-propan-2-ylphenoxy]-N,N-dimethylethanamine is COc1ccc2c(c1)c(C)cn2S(=O)(=O)c1ccc(C(C)C)c(OCCN(C)C)c1.
What is the InChIKey of 2-[5-(5-methoxy-3-methylindol-1-yl)sulfonyl-2-propan-2-ylphenoxy]-N,N-dimethylethanamine?
The InChIKey is GORKGUFFIKBTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-16(2)20-9-8-19(14-23(20)29-12-11-24(4)5)30(26,27)25-15-17(3)21-13-18(28-6)7-10-22(21)25/h7-10,13-16H,11-12H2,1-6H3.
What are the key properties of 2-[5-(5-methoxy-3-methylindol-1-yl)sulfonyl-2-propan-2-ylphenoxy]-N,N-dimethylethanamine?
2-[5-(5-methoxy-3-methylindol-1-yl)sulfonyl-2-propan-2-ylphenoxy]-N,N-dimethylethanamine has a molecular weight of 430.57 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-methoxy-3-methylindol-1-yl)sulfonyl-2-propan-2-ylphenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 25104155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).