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

C18H24N3O2S+ — CID 8695217

IUPAC[2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
SMILESCN(C)C(=O)C[NH+](C)CC(=O)N[C@H](c1ccccc1)c1cccs1
InChIInChI=1S/C18H23N3O2S/c1-20(2)17(23)13-21(3)12-16(22)19-18(15-10-7-11-24-15)14-8-5-4-6-9-14/h4-11,18H,12-13H2,1-3H3,(H,19,22)/p+1/t18-/m1/s1
InChIKeyJIOBVARNIZCRGY-GOSISDBHSA-O
MW346.48 g/mol
LogP0.56
Rot. Bonds7

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

[2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium (PubChem CID 8695217) has the molecular formula C18H24N3O2S+ and a molecular weight of 346.48 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
PubChem CID8695217
Molecular FormulaC18H24N3O2S+
Molecular Weight346.48 g/mol
Exact Mass346.16
IUPAC Name[2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
SMILESCN(C)C(=O)C[NH+](C)CC(=O)N[C@H](c1ccccc1)c1cccs1
InChIInChI=1S/C18H23N3O2S/c1-20(2)17(23)13-21(3)12-16(22)19-18(15-10-7-11-24-15)14-8-5-4-6-9-14/h4-11,18H,12-13H2,1-3H3,(H,19,22)/p+1/t18-/m1/s1
InChIKeyJIOBVARNIZCRGY-GOSISDBHSA-O
XLogP0.56
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

[2-(benzhydrylamino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8711950
methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium
CID 8790275
[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
CID 8847189
2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46444318
(3-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
CID 8789153
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 60682552
(2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
CID 8845954
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
CID 8805898
[2-(benzhydrylamino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9048967
[2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
CID 8794366
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8863466

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium (CID 8695217) is [2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium is CN(C)C(=O)C[NH+](C)CC(=O)N[C@H](c1ccccc1)c1cccs1.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium?
The InChIKey is JIOBVARNIZCRGY-GOSISDBHSA-O. The full InChI is InChI=1S/C18H23N3O2S/c1-20(2)17(23)13-21(3)12-16(22)19-18(15-10-7-11-24-15)14-8-5-4-6-9-14/h4-11,18H,12-13H2,1-3H3,(H,19,22)/p+1/t18-/m1/s1.
What are the key properties of [2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium?
[2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium has a molecular weight of 346.48 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium is sourced from PubChem (CID 8695217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).