[2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium

C21H30N3O2S+ — CID 8794366

IUPAC[2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
SMILESCC[NH+](CC(=O)N[C@H](c1ccccc1)c1cccs1)CC(=O)NC(C)(C)C
InChIInChI=1S/C21H29N3O2S/c1-5-24(15-19(26)23-21(2,3)4)14-18(25)22-20(17-12-9-13-27-17)16-10-7-6-8-11-16/h6-13,20H,5,14-15H2,1-4H3,(H,22,25)(H,23,26)/p+1/t20-/m1/s1
InChIKeyMRUGREPCYPAKKB-HXUWFJFHSA-O
MW388.56 g/mol
LogP1.77
Rot. Bonds8

About [2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium

[2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium (PubChem CID 8794366) has the molecular formula C21H30N3O2S+ and a molecular weight of 388.56 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
PubChem CID8794366
Molecular FormulaC21H30N3O2S+
Molecular Weight388.56 g/mol
Exact Mass388.21
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
SMILESCC[NH+](CC(=O)N[C@H](c1ccccc1)c1cccs1)CC(=O)NC(C)(C)C
InChIInChI=1S/C21H29N3O2S/c1-5-24(15-19(26)23-21(2,3)4)14-18(25)22-20(17-12-9-13-27-17)16-10-7-6-8-11-16/h6-13,20H,5,14-15H2,1-4H3,(H,22,25)(H,23,26)/p+1/t20-/m1/s1
InChIKeyMRUGREPCYPAKKB-HXUWFJFHSA-O
XLogP1.77
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium with MolForge

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Related Compounds

[2-(benzhydrylamino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8717939
2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 60682552
methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium
CID 8790275
[2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]azanium
CID 8792453
[2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
CID 8695217
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
2-(2-ethylanilino)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 41392516
[2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium
CID 8795668
3-amino-2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 115426261
N-tert-butyl-2-(dithiophen-2-ylmethylamino)acetamide
CID 115356281
2-(2,5-dimethylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 17499470
ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate
CID 13090015

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium (CID 8794366) is [2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium is CC[NH+](CC(=O)N[C@H](c1ccccc1)c1cccs1)CC(=O)NC(C)(C)C.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium?
The InChIKey is MRUGREPCYPAKKB-HXUWFJFHSA-O. The full InChI is InChI=1S/C21H29N3O2S/c1-5-24(15-19(26)23-21(2,3)4)14-18(25)22-20(17-12-9-13-27-17)16-10-7-6-8-11-16/h6-13,20H,5,14-15H2,1-4H3,(H,22,25)(H,23,26)/p+1/t20-/m1/s1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium?
[2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium has a molecular weight of 388.56 g/mol, XLogP of 1.77, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium is sourced from PubChem (CID 8794366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).