(2S)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-N-(2-thiophen-2-ylethyl)propanamide

C23H25N3OS2 — CID 8645798

IUPAC(2S)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-N-(2-thiophen-2-ylethyl)propanamide
SMILESC[C@H](NC[C@H](c1cccs1)c1c[nH]c2ccccc12)C(=O)NCCc1cccs1
InChIInChI=1S/C23H25N3OS2/c1-16(23(27)24-11-10-17-6-4-12-28-17)25-15-20(22-9-5-13-29-22)19-14-26-21-8-3-2-7-18(19)21/h2-9,12-14,16,20,25-26H,10-11,15H2,1H3,(H,24,27)/t16-,20-/m0/s1
InChIKeyVSPYWQOTFUSJDO-JXFKEZNVSA-N
MW423.61 g/mol
LogP4.76
Rot. Bonds9

About (2S)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-N-(2-thiophen-2-ylethyl)propanamide

(2S)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 8645798) has the molecular formula C23H25N3OS2 and a molecular weight of 423.61 g/mol. Its IUPAC name is (2S)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID8645798
Molecular FormulaC23H25N3OS2
Molecular Weight423.61 g/mol
Exact Mass423.14
IUPAC Name(2S)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-N-(2-thiophen-2-ylethyl)propanamide
SMILESC[C@H](NC[C@H](c1cccs1)c1c[nH]c2ccccc12)C(=O)NCCc1cccs1
InChIInChI=1S/C23H25N3OS2/c1-16(23(27)24-11-10-17-6-4-12-28-17)25-15-20(22-9-5-13-29-22)19-14-26-21-8-3-2-7-18(19)21/h2-9,12-14,16,20,25-26H,10-11,15H2,1H3,(H,24,27)/t16-,20-/m0/s1
InChIKeyVSPYWQOTFUSJDO-JXFKEZNVSA-N
XLogP4.76
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.61
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium
CID 8645797
(2S)-N-(4-fluorophenyl)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]propanamide
CID 8645674
[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium
CID 8645405
[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium
CID 8645400
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 42904642
(2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 9452151
(2S)-1-(2,3-dihydroindol-1-yl)-2-[[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]propan-1-one
CID 8645646
1-butyl-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]thiourea
CID 42997038
(4R)-4-(1H-indol-3-yl)-4-thiophen-2-ylbutan-2-one
CID 102274489
(2S)-N-carbamoyl-2-[[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]amino]propanamide
CID 8645365
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(3-methylphenoxy)propanamide
CID 55329101
1-(2-fluorophenyl)-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]urea
CID 24588097

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of (2S)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-N-(2-thiophen-2-ylethyl)propanamide (CID 8645798) is (2S)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for (2S)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for (2S)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-N-(2-thiophen-2-ylethyl)propanamide is C[C@H](NC[C@H](c1cccs1)c1c[nH]c2ccccc12)C(=O)NCCc1cccs1.
What is the InChIKey of (2S)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is VSPYWQOTFUSJDO-JXFKEZNVSA-N. The full InChI is InChI=1S/C23H25N3OS2/c1-16(23(27)24-11-10-17-6-4-12-28-17)25-15-20(22-9-5-13-29-22)19-14-26-21-8-3-2-7-18(19)21/h2-9,12-14,16,20,25-26H,10-11,15H2,1H3,(H,24,27)/t16-,20-/m0/s1.
What are the key properties of (2S)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-N-(2-thiophen-2-ylethyl)propanamide?
(2S)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 423.61 g/mol, XLogP of 4.76, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 8645798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).