1-(2,3-dihydroindol-1-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propan-1-one

C20H24N2OS — CID 4881919

IUPAC1-(2,3-dihydroindol-1-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propan-1-one
SMILESCSc1ccc(CN(C)C(C)C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C20H24N2OS/c1-15(21(2)14-16-8-10-18(24-3)11-9-16)20(23)22-13-12-17-6-4-5-7-19(17)22/h4-11,15H,12-14H2,1-3H3
InChIKeyZNYGHQFYGQIADJ-UHFFFAOYSA-N
MW340.49 g/mol
LogP3.82
Rot. Bonds5

About 1-(2,3-dihydroindol-1-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propan-1-one

1-(2,3-dihydroindol-1-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propan-1-one (PubChem CID 4881919) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propan-1-one
PubChem CID4881919
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propan-1-one
SMILESCSc1ccc(CN(C)C(C)C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C20H24N2OS/c1-15(21(2)14-16-8-10-18(24-3)11-9-16)20(23)22-13-12-17-6-4-5-7-19(17)22/h4-11,15H,12-14H2,1-3H3
InChIKeyZNYGHQFYGQIADJ-UHFFFAOYSA-N
XLogP3.82
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)methyl-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4818858
4-[[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]methyl]-N-methylbenzamide
CID 51227478
(2R)-1-(2,3-dihydroindol-1-yl)-2-[(3-fluorophenyl)methyl-methylamino]propan-1-one
CID 8516194
(2S)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 8774784
(2S)-1-(2,3-dihydroindol-1-yl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propan-1-one
CID 39948944
(2R)-1-(2,3-dihydroindol-1-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propan-1-one
CID 8515151
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 78808593
2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 9049766
1-(4-ethylpiperazin-1-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propan-1-one
CID 78786374
N-cyclopropyl-2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 9053395
(E)-N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 86881495
1-(2,3-dihydroindol-1-yl)-2-(4-methylsulfanylphenoxy)ethanone
CID 895153

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propan-1-one (CID 4881919) is 1-(2,3-dihydroindol-1-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propan-1-one is CSc1ccc(CN(C)C(C)C(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propan-1-one?
The InChIKey is ZNYGHQFYGQIADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-15(21(2)14-16-8-10-18(24-3)11-9-16)20(23)22-13-12-17-6-4-5-7-19(17)22/h4-11,15H,12-14H2,1-3H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propan-1-one?
1-(2,3-dihydroindol-1-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propan-1-one has a molecular weight of 340.49 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propan-1-one is sourced from PubChem (CID 4881919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).