(2R)-1-(2-methyl-1H-indol-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-one

C19H22N2OS — CID 9434127

IUPAC(2R)-1-(2-methyl-1H-indol-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-one
SMILESCc1ccsc1CN(C)[C@H](C)C(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C19H22N2OS/c1-12-9-10-23-17(12)11-21(4)14(3)19(22)18-13(2)20-16-8-6-5-7-15(16)18/h5-10,14,20H,11H2,1-4H3/t14-/m1/s1
InChIKeyBDSIIWBDJZFELF-CQSZACIVSA-N
MW326.46 g/mol
LogP4.55
Rot. Bonds5

About (2R)-1-(2-methyl-1H-indol-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-one

(2R)-1-(2-methyl-1H-indol-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-one (PubChem CID 9434127) has the molecular formula C19H22N2OS and a molecular weight of 326.46 g/mol. Its IUPAC name is (2R)-1-(2-methyl-1H-indol-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-one.

Molecular Properties

Compound Name(2R)-1-(2-methyl-1H-indol-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-one
PubChem CID9434127
Molecular FormulaC19H22N2OS
Molecular Weight326.46 g/mol
Exact Mass326.15
IUPAC Name(2R)-1-(2-methyl-1H-indol-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-one
SMILESCc1ccsc1CN(C)[C@H](C)C(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C19H22N2OS/c1-12-9-10-23-17(12)11-21(4)14(3)19(22)18-13(2)20-16-8-6-5-7-15(16)18/h5-10,14,20H,11H2,1-4H3/t14-/m1/s1
InChIKeyBDSIIWBDJZFELF-CQSZACIVSA-N
XLogP4.55
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(2-methyl-1H-indol-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-one with MolForge

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Related Compounds

2-[[methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]methyl]-3H-quinazolin-4-one
CID 135878040
(2S)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 8798182
2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 109398298
N,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide
CID 46961703
2-ethyl-3-methyl-1-(2-methyl-1H-indol-3-yl)butan-1-one
CID 82254393
N-(2-chlorophenyl)-2-[methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide
CID 9036720
N-(2,6-dichlorophenyl)-2-[methyl-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide
CID 9287032
N-(3-methoxyphenyl)-2-[methyl-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide
CID 18082938
(2S)-2-chloro-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 2405282
(2R)-N-(2-methoxyphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434103
2-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-one
CID 43161219
3-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 26682281

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methyl-1H-indol-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-one?
The IUPAC name of (2R)-1-(2-methyl-1H-indol-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-one (CID 9434127) is (2R)-1-(2-methyl-1H-indol-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-one.
What is the SMILES notation for (2R)-1-(2-methyl-1H-indol-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-one?
The canonical SMILES for (2R)-1-(2-methyl-1H-indol-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-one is Cc1ccsc1CN(C)[C@H](C)C(=O)c1c(C)[nH]c2ccccc12.
What is the InChIKey of (2R)-1-(2-methyl-1H-indol-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-one?
The InChIKey is BDSIIWBDJZFELF-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-12-9-10-23-17(12)11-21(4)14(3)19(22)18-13(2)20-16-8-6-5-7-15(16)18/h5-10,14,20H,11H2,1-4H3/t14-/m1/s1.
What are the key properties of (2R)-1-(2-methyl-1H-indol-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-one?
(2R)-1-(2-methyl-1H-indol-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-one has a molecular weight of 326.46 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-methyl-1H-indol-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-one is sourced from PubChem (CID 9434127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).