1-(2,3-dihydroindol-1-yl)-2-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]ethanone

C19H24N2OS — CID 60585092

IUPAC1-(2,3-dihydroindol-1-yl)-2-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]ethanone
SMILESCc1ccc(CN(CC(=O)N2CCc3ccccc32)C(C)C)s1
InChIInChI=1S/C19H24N2OS/c1-14(2)20(12-17-9-8-15(3)23-17)13-19(22)21-11-10-16-6-4-5-7-18(16)21/h4-9,14H,10-13H2,1-3H3
InChIKeyOKBOOBTWCOYWSC-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.86
Rot. Bonds5

About 1-(2,3-dihydroindol-1-yl)-2-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]ethanone

1-(2,3-dihydroindol-1-yl)-2-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]ethanone (PubChem CID 60585092) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]ethanone
PubChem CID60585092
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]ethanone
SMILESCc1ccc(CN(CC(=O)N2CCc3ccccc32)C(C)C)s1
InChIInChI=1S/C19H24N2OS/c1-14(2)20(12-17-9-8-15(3)23-17)13-19(22)21-11-10-16-6-4-5-7-18(16)21/h4-9,14H,10-13H2,1-3H3
InChIKeyOKBOOBTWCOYWSC-UHFFFAOYSA-N
XLogP3.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydroindol-1-yl)-2-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]ethanone with MolForge

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 55061280
2-(diethylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 3028969
(2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194966
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 47088436
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)methanesulfonamide
CID 30273145
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
2-[3-aminopropyl(methyl)amino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 81493095
1-(2,3-dihydroindol-1-yl)-2-[[(1R)-1-(4-propan-2-ylphenyl)ethyl]amino]ethanone
CID 9439923
2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 111858977
3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one
CID 64686330
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]ethanone (CID 60585092) is 1-(2,3-dihydroindol-1-yl)-2-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]ethanone is Cc1ccc(CN(CC(=O)N2CCc3ccccc32)C(C)C)s1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]ethanone?
The InChIKey is OKBOOBTWCOYWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-14(2)20(12-17-9-8-15(3)23-17)13-19(22)21-11-10-16-6-4-5-7-18(16)21/h4-9,14H,10-13H2,1-3H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]ethanone has a molecular weight of 328.48 g/mol, XLogP of 3.86, 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-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]ethanone is sourced from PubChem (CID 60585092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).