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

C22H20N2OS — CID 8864137

IUPAC(2R)-1-(1H-indol-3-yl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propan-1-one
SMILESC[C@@H](N[C@H](c1ccccc1)c1cccs1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C22H20N2OS/c1-15(22(25)18-14-23-19-11-6-5-10-17(18)19)24-21(20-12-7-13-26-20)16-8-3-2-4-9-16/h2-15,21,23-24H,1H3/t15-,21-/m1/s1
InChIKeyMXIFFBWLJAKXJA-QVKFZJNVSA-N
MW360.48 g/mol
LogP5.18
Rot. Bonds6

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

(2R)-1-(1H-indol-3-yl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propan-1-one (PubChem CID 8864137) has the molecular formula C22H20N2OS and a molecular weight of 360.48 g/mol. Its IUPAC name is (2R)-1-(1H-indol-3-yl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propan-1-one.

Molecular Properties

Compound Name(2R)-1-(1H-indol-3-yl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propan-1-one
PubChem CID8864137
Molecular FormulaC22H20N2OS
Molecular Weight360.48 g/mol
Exact Mass360.13
IUPAC Name(2R)-1-(1H-indol-3-yl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propan-1-one
SMILESC[C@@H](N[C@H](c1ccccc1)c1cccs1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C22H20N2OS/c1-15(22(25)18-14-23-19-11-6-5-10-17(18)19)24-21(20-12-7-13-26-20)16-8-3-2-4-9-16/h2-15,21,23-24H,1H3/t15-,21-/m1/s1
InChIKeyMXIFFBWLJAKXJA-QVKFZJNVSA-N
XLogP5.18
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.48
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[phenyl(thiophen-2-yl)methyl]amino]propanoic acid
CID 66172307
(2S)-1-(1H-indol-3-yl)-2-[[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-2-phenylethanone
CID 97219918
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 8631199
(2R)-1-(1H-indol-3-yl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylethanone
CID 31443537
(2S)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 9441385
(2R)-1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-phenylethanone
CID 9356665
(2S)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-1-(1H-indol-3-yl)propan-1-one
CID 8688138
(2R)-N-(4-chlorophenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide
CID 9051206
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 42904642
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(1H-indol-3-yl)propanamide
CID 17494432
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8648964
(2R)-N-(2-phenylphenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide
CID 9051044

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1H-indol-3-yl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propan-1-one?
The IUPAC name of (2R)-1-(1H-indol-3-yl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propan-1-one (CID 8864137) is (2R)-1-(1H-indol-3-yl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propan-1-one.
What is the SMILES notation for (2R)-1-(1H-indol-3-yl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propan-1-one?
The canonical SMILES for (2R)-1-(1H-indol-3-yl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propan-1-one is C[C@@H](N[C@H](c1ccccc1)c1cccs1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of (2R)-1-(1H-indol-3-yl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propan-1-one?
The InChIKey is MXIFFBWLJAKXJA-QVKFZJNVSA-N. The full InChI is InChI=1S/C22H20N2OS/c1-15(22(25)18-14-23-19-11-6-5-10-17(18)19)24-21(20-12-7-13-26-20)16-8-3-2-4-9-16/h2-15,21,23-24H,1H3/t15-,21-/m1/s1.
What are the key properties of (2R)-1-(1H-indol-3-yl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propan-1-one?
(2R)-1-(1H-indol-3-yl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propan-1-one has a molecular weight of 360.48 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1H-indol-3-yl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propan-1-one is sourced from PubChem (CID 8864137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).