(2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one

C21H25N3OS — CID 9452151

IUPAC(2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESC[C@@H](NC[C@H](c1cccs1)c1c[nH]c2ccccc12)C(=O)N1CCCC1
InChIInChI=1S/C21H25N3OS/c1-15(21(25)24-10-4-5-11-24)22-14-18(20-9-6-12-26-20)17-13-23-19-8-3-2-7-16(17)19/h2-3,6-9,12-13,15,18,22-23H,4-5,10-11,14H2,1H3/t15-,18+/m1/s1
InChIKeySSDJHXCDVCEQKR-QAPCUYQASA-N
MW367.52 g/mol
LogP3.96
Rot. Bonds6

About (2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one

(2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 9452151) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID9452151
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC Name(2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESC[C@@H](NC[C@H](c1cccs1)c1c[nH]c2ccccc12)C(=O)N1CCCC1
InChIInChI=1S/C21H25N3OS/c1-15(21(25)24-10-4-5-11-24)22-14-18(20-9-6-12-26-20)17-13-23-19-8-3-2-7-16(17)19/h2-3,6-9,12-13,15,18,22-23H,4-5,10-11,14H2,1H3/t15-,18+/m1/s1
InChIKeySSDJHXCDVCEQKR-QAPCUYQASA-N
XLogP3.96
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2,3-dihydroindol-1-yl)-2-[[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]propan-1-one
CID 8645646
(2S)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-N-(2-thiophen-2-ylethyl)propanamide
CID 8645798
(2S)-N-(4-fluorophenyl)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]propanamide
CID 8645674
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 42904642
4-(2-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]piperazine-1-carboxamide
CID 42934708
(4R)-4-(1H-indol-3-yl)-4-thiophen-2-ylbutan-2-one
CID 102274489
1-[1-(4-fluorophenyl)ethyl]-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1-methylurea
CID 55472337
1-(azetidin-1-yl)-2-(1H-indol-3-yl)propan-1-one
CID 67186064
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide
CID 42934711
N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-methylpyrimidine-4-carboxamide
CID 97191740
(2R)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propan-1-one
CID 8644960
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 55329076

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one (CID 9452151) is (2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one is C[C@@H](NC[C@H](c1cccs1)c1c[nH]c2ccccc12)C(=O)N1CCCC1.
What is the InChIKey of (2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is SSDJHXCDVCEQKR-QAPCUYQASA-N. The full InChI is InChI=1S/C21H25N3OS/c1-15(21(25)24-10-4-5-11-24)22-14-18(20-9-6-12-26-20)17-13-23-19-8-3-2-7-16(17)19/h2-3,6-9,12-13,15,18,22-23H,4-5,10-11,14H2,1H3/t15-,18+/m1/s1.
What are the key properties of (2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
(2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 367.52 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 9452151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).