[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium

C19H26N3O2S+ — CID 8552998

IUPAC[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium
SMILESCc1cccc(NC(=O)C[NH+](C)CC(=O)N(C)Cc2ccsc2)c1C
InChIInChI=1S/C19H25N3O2S/c1-14-6-5-7-17(15(14)2)20-18(23)11-21(3)12-19(24)22(4)10-16-8-9-25-13-16/h5-9,13H,10-12H2,1-4H3,(H,20,23)/p+1
InChIKeyRIKYRLNEENYWNV-UHFFFAOYSA-O
MW360.50 g/mol
LogP1.48
Rot. Bonds7

About [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium

[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium (PubChem CID 8552998) has the molecular formula C19H26N3O2S+ and a molecular weight of 360.50 g/mol. Its IUPAC name is [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium
PubChem CID8552998
Molecular FormulaC19H26N3O2S+
Molecular Weight360.50 g/mol
Exact Mass360.17
IUPAC Name[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium
SMILESCc1cccc(NC(=O)C[NH+](C)CC(=O)N(C)Cc2ccsc2)c1C
InChIInChI=1S/C19H25N3O2S/c1-14-6-5-7-17(15(14)2)20-18(23)11-21(3)12-19(24)22(4)10-16-8-9-25-13-16/h5-9,13H,10-12H2,1-4H3,(H,20,23)/p+1
InChIKeyRIKYRLNEENYWNV-UHFFFAOYSA-O
XLogP1.48
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium with MolForge

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Related Compounds

[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]azanium
CID 9287627
[2-(dimethylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8711968
methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8913745
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]azanium
CID 8553459
[2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9221977
N'-benzyl-N-(2,3-dimethylphenyl)-N'-methylpropanediamide
CID 108946105
[2-(3-chloro-2-methylanilino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9287833
[2-(2,3-dimethylanilino)-2-oxoethyl]-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium
CID 9287642
[2-(2,6-dimethylanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylazanium
CID 8793608
[2-(benzhydrylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9262013
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8553578
[2-(2,3-dimethylanilino)-2-oxoethyl]-[2-(3,4-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9287839

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium?
The IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium (CID 8552998) is [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium.
What is the SMILES notation for [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium?
The canonical SMILES for [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium is Cc1cccc(NC(=O)C[NH+](C)CC(=O)N(C)Cc2ccsc2)c1C.
What is the InChIKey of [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium?
The InChIKey is RIKYRLNEENYWNV-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H25N3O2S/c1-14-6-5-7-17(15(14)2)20-18(23)11-21(3)12-19(24)22(4)10-16-8-9-25-13-16/h5-9,13H,10-12H2,1-4H3,(H,20,23)/p+1.
What are the key properties of [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium?
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium has a molecular weight of 360.50 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium is sourced from PubChem (CID 8552998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).