ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]azanium

C20H28N3O3S+ — CID 8683482

IUPACethyl-[2-(ethylamino)-2-oxoethyl]-[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]azanium
SMILESCCNC(=O)C[NH+](CC)CC(=O)N(Cc1cccs1)c1ccc(OC)cc1
InChIInChI=1S/C20H27N3O3S/c1-4-21-19(24)14-22(5-2)15-20(25)23(13-18-7-6-12-27-18)16-8-10-17(26-3)11-9-16/h6-12H,4-5,13-15H2,1-3H3,(H,21,24)/p+1
InChIKeyDVTIEZYUPAYNAX-UHFFFAOYSA-O
MW390.53 g/mol
LogP1.33
Rot. Bonds10

About ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]azanium

ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]azanium (PubChem CID 8683482) has the molecular formula C20H28N3O3S+ and a molecular weight of 390.53 g/mol. Its IUPAC name is ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]azanium.

Molecular Properties

Compound Nameethyl-[2-(ethylamino)-2-oxoethyl]-[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]azanium
PubChem CID8683482
Molecular FormulaC20H28N3O3S+
Molecular Weight390.53 g/mol
Exact Mass390.18
IUPAC Nameethyl-[2-(ethylamino)-2-oxoethyl]-[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]azanium
SMILESCCNC(=O)C[NH+](CC)CC(=O)N(Cc1cccs1)c1ccc(OC)cc1
InChIInChI=1S/C20H27N3O3S/c1-4-21-19(24)14-22(5-2)15-20(25)23(13-18-7-6-12-27-18)16-8-10-17(26-3)11-9-16/h6-12H,4-5,13-15H2,1-3H3,(H,21,24)/p+1
InChIKeyDVTIEZYUPAYNAX-UHFFFAOYSA-O
XLogP1.33
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]azanium with MolForge

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Related Compounds

2-[[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide
CID 8790102
cis-(1R,2S)-2-[(4-methoxyphenyl)-(thiophen-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 129467519
N-(4-methoxyphenyl)-2-(3-methoxyphenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 35041458
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 8788912
N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide
CID 76858086
N-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 17013288
[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8970152
[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 9347668
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]azanium
CID 8710968
N-(4-methoxyphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 40862578
N-(4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 134008525
N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-4-carboxamide
CID 55966655

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]azanium?
The IUPAC name of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]azanium (CID 8683482) is ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]azanium.
What is the SMILES notation for ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]azanium?
The canonical SMILES for ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]azanium is CCNC(=O)C[NH+](CC)CC(=O)N(Cc1cccs1)c1ccc(OC)cc1.
What is the InChIKey of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]azanium?
The InChIKey is DVTIEZYUPAYNAX-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H27N3O3S/c1-4-21-19(24)14-22(5-2)15-20(25)23(13-18-7-6-12-27-18)16-8-10-17(26-3)11-9-16/h6-12H,4-5,13-15H2,1-3H3,(H,21,24)/p+1.
What are the key properties of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]azanium?
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]azanium has a molecular weight of 390.53 g/mol, XLogP of 1.33, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]azanium is sourced from PubChem (CID 8683482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).