N-[4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylphenyl]acetamide

C21H25N3O4S — CID 23900125

IUPACN-[4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylphenyl]acetamide
SMILESCOc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H25N3O4S/c1-15(25)22-17-5-8-19(9-6-17)29(26,27)24-14-16(11-12-23(2)3)20-13-18(28-4)7-10-21(20)24/h5-10,13-14H,11-12H2,1-4H3,(H,22,25)
InChIKeyZEMXEKKUFDTRRE-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.95
Rot. Bonds7

About N-[4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylphenyl]acetamide

N-[4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylphenyl]acetamide (PubChem CID 23900125) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylphenyl]acetamide
PubChem CID23900125
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-[4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylphenyl]acetamide
SMILESCOc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H25N3O4S/c1-15(25)22-17-5-8-19(9-6-17)29(26,27)24-14-16(11-12-23(2)3)20-13-18(28-4)7-10-21(20)24/h5-10,13-14H,11-12H2,1-4H3,(H,22,25)
InChIKeyZEMXEKKUFDTRRE-UHFFFAOYSA-N
XLogP2.95
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylphenyl]acetamide (CID 23900125) is N-[4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylphenyl]acetamide is COc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylphenyl]acetamide?
The InChIKey is ZEMXEKKUFDTRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-15(25)22-17-5-8-19(9-6-17)29(26,27)24-14-16(11-12-23(2)3)20-13-18(28-4)7-10-21(20)24/h5-10,13-14H,11-12H2,1-4H3,(H,22,25).
What are the key properties of N-[4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylphenyl]acetamide?
N-[4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylphenyl]acetamide has a molecular weight of 415.52 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 23900125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).