[2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium

C17H23N2OS+ — CID 8718095

IUPAC[2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
SMILESCC[NH+](CC(=O)Nc1cc(C)cc(C)c1)Cc1cccs1
InChIInChI=1S/C17H22N2OS/c1-4-19(11-16-6-5-7-21-16)12-17(20)18-15-9-13(2)8-14(3)10-15/h5-10H,4,11-12H2,1-3H3,(H,18,20)/p+1
InChIKeyWSJFUCPDVKGBFS-UHFFFAOYSA-O
MW303.45 g/mol
LogP2.41
Rot. Bonds6

About [2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium

[2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium (PubChem CID 8718095) has the molecular formula C17H23N2OS+ and a molecular weight of 303.45 g/mol. Its IUPAC name is [2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
PubChem CID8718095
Molecular FormulaC17H23N2OS+
Molecular Weight303.45 g/mol
Exact Mass303.15
IUPAC Name[2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
SMILESCC[NH+](CC(=O)Nc1cc(C)cc(C)c1)Cc1cccs1
InChIInChI=1S/C17H22N2OS/c1-4-19(11-16-6-5-7-21-16)12-17(20)18-15-9-13(2)8-14(3)10-15/h5-10H,4,11-12H2,1-3H3,(H,18,20)/p+1
InChIKeyWSJFUCPDVKGBFS-UHFFFAOYSA-O
XLogP2.41
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-diethylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 2455483
3-(3-Methylphenyl)-1-(thien-2-ylmethyl)-2-thioxoimidazolidin-4-one
CID 4535712
(E)-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 6224117
N-(2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965775
N-(3,5-dimethylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 9266840
2-[methyl(thiophen-2-ylmethyl)amino]-N-phenylpropanamide
CID 16327019
N-(4-cyanophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 16327913
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
CID 17413594
N~1~-(3-Methylphenyl)-2-[methyl(2-thienylsulfonyl)amino]acetamide
CID 4318852
N-[4-(Diethylamino)-2-methylphenyl]-3-methyl-2-(thiophene-2-sulfonamido)butanamide
CID 15988648
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide
CID 3216707
N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide
CID 3216714

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium?
The IUPAC name of [2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium (CID 8718095) is [2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium is CC[NH+](CC(=O)Nc1cc(C)cc(C)c1)Cc1cccs1.
What is the InChIKey of [2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium?
The InChIKey is WSJFUCPDVKGBFS-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H22N2OS/c1-4-19(11-16-6-5-7-21-16)12-17(20)18-15-9-13(2)8-14(3)10-15/h5-10H,4,11-12H2,1-3H3,(H,18,20)/p+1.
What are the key properties of [2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium?
[2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium has a molecular weight of 303.45 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8718095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).