(2S)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone

C22H20N2O2 — CID 9441385

IUPAC(2S)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone
SMILESC[C@@H](N[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccco1
InChIInChI=1S/C22H20N2O2/c1-15(20-12-7-13-26-20)24-21(16-8-3-2-4-9-16)22(25)18-14-23-19-11-6-5-10-17(18)19/h2-15,21,23-24H,1H3/t15-,21+/m1/s1
InChIKeyYDKPHNVMKDQZSQ-VFNWGFHPSA-N
MW344.41 g/mol
LogP5.04
Rot. Bonds6

About (2S)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone

(2S)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone (PubChem CID 9441385) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is (2S)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone.

Molecular Properties

Compound Name(2S)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone
PubChem CID9441385
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name(2S)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone
SMILESC[C@@H](N[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccco1
InChIInChI=1S/C22H20N2O2/c1-15(20-12-7-13-26-20)24-21(16-8-3-2-4-9-16)22(25)18-14-23-19-11-6-5-10-17(18)19/h2-15,21,23-24H,1H3/t15-,21+/m1/s1
InChIKeyYDKPHNVMKDQZSQ-VFNWGFHPSA-N
XLogP5.04
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone with MolForge

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Related Compounds

(2R)-1-(1H-indol-3-yl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylethanone
CID 31443537
[(1S)-1-(furan-2-yl)ethyl]-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium
CID 9441387
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 17449108
2-(furan-2-yl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone
CID 86728606
(2R)-1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-phenylethanone
CID 9356665
ethyl 2-[1-(furan-2-yl)ethylamino]-2-phenylacetate
CID 103604487
ethyl 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-phenylacetate
CID 106677258
furan-2-ylmethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium
CID 9325925
(2R)-1-(1H-indol-3-yl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propan-1-one
CID 8864137
2-(3-hydroxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone
CID 86729082
2-[[(2R)-2-(4-chlorophenyl)butyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 139422950
N-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 41273168

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone?
The IUPAC name of (2S)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone (CID 9441385) is (2S)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone.
What is the SMILES notation for (2S)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone?
The canonical SMILES for (2S)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone is C[C@@H](N[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccco1.
What is the InChIKey of (2S)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone?
The InChIKey is YDKPHNVMKDQZSQ-VFNWGFHPSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-15(20-12-7-13-26-20)24-21(16-8-3-2-4-9-16)22(25)18-14-23-19-11-6-5-10-17(18)19/h2-15,21,23-24H,1H3/t15-,21+/m1/s1.
What are the key properties of (2S)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone?
(2S)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone has a molecular weight of 344.41 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone is sourced from PubChem (CID 9441385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).