[2-(benzhydrylamino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium

C22H25N2OS+ — CID 8717939

IUPAC[2-(benzhydrylamino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
SMILESCC[NH+](CC(=O)NC(c1ccccc1)c1ccccc1)Cc1cccs1
InChIInChI=1S/C22H24N2OS/c1-2-24(16-20-14-9-15-26-20)17-21(25)23-22(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-15,22H,2,16-17H2,1H3,(H,23,25)/p+1
InChIKeyLLJCVVYUNYUJJC-UHFFFAOYSA-O
MW365.52 g/mol
LogP3.06
Rot. Bonds8

About [2-(benzhydrylamino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium

[2-(benzhydrylamino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium (PubChem CID 8717939) has the molecular formula C22H25N2OS+ and a molecular weight of 365.52 g/mol. Its IUPAC name is [2-(benzhydrylamino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-(benzhydrylamino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
PubChem CID8717939
Molecular FormulaC22H25N2OS+
Molecular Weight365.52 g/mol
Exact Mass365.17
IUPAC Name[2-(benzhydrylamino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
SMILESCC[NH+](CC(=O)NC(c1ccccc1)c1ccccc1)Cc1cccs1
InChIInChI=1S/C22H24N2OS/c1-2-24(16-20-14-9-15-26-20)17-21(25)23-22(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-15,22H,2,16-17H2,1H3,(H,23,25)/p+1
InChIKeyLLJCVVYUNYUJJC-UHFFFAOYSA-O
XLogP3.06
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3,4-dichloroanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8717971
N-benzhydryl-2-thiophen-2-ylacetamide
CID 785978
[2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
CID 8794366
methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium
CID 2541465
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718256
[2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718095
[2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718114
ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-(thiophen-2-ylmethyl)azanium
CID 8718122
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718399
ethyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8769822
ethyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8718287
N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-2-thiophen-2-ylacetamide
CID 32576120

Frequently Asked Questions

What is the IUPAC name of [2-(benzhydrylamino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium?
The IUPAC name of [2-(benzhydrylamino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium (CID 8717939) is [2-(benzhydrylamino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [2-(benzhydrylamino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [2-(benzhydrylamino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium is CC[NH+](CC(=O)NC(c1ccccc1)c1ccccc1)Cc1cccs1.
What is the InChIKey of [2-(benzhydrylamino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium?
The InChIKey is LLJCVVYUNYUJJC-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H24N2OS/c1-2-24(16-20-14-9-15-26-20)17-21(25)23-22(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-15,22H,2,16-17H2,1H3,(H,23,25)/p+1.
What are the key properties of [2-(benzhydrylamino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium?
[2-(benzhydrylamino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium has a molecular weight of 365.52 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzhydrylamino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8717939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).