N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-ethyloxamide

C12H19N3O2S — CID 16932111

IUPACN'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-ethyloxamide
SMILESCCNC(=O)C(=O)NCC(c1ccsc1)N(C)C
InChIInChI=1S/C12H19N3O2S/c1-4-13-11(16)12(17)14-7-10(15(2)3)9-5-6-18-8-9/h5-6,8,10H,4,7H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyPLZVZMDWHQPNHS-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.60
Rot. Bonds5

About N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-ethyloxamide

N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-ethyloxamide (PubChem CID 16932111) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-ethyloxamide.

Molecular Properties

Compound NameN'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-ethyloxamide
PubChem CID16932111
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-ethyloxamide
SMILESCCNC(=O)C(=O)NCC(c1ccsc1)N(C)C
InChIInChI=1S/C12H19N3O2S/c1-4-13-11(16)12(17)14-7-10(15(2)3)9-5-6-18-8-9/h5-6,8,10H,4,7H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyPLZVZMDWHQPNHS-UHFFFAOYSA-N
XLogP0.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide
CID 119850709
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-N'-(3-fluorophenyl)oxamide
CID 40847938
N'-(3-chloro-2-methylphenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide
CID 16932117
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,3-diphenylpropanamide
CID 32631467
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethylbenzamide
CID 42548990
N-(1,3-benzodioxol-5-ylmethyl)-N'-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide
CID 40847894
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-carboxamide
CID 32630977
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,6-dimethoxybenzamide
CID 16931120
2-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide
CID 16931182
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide
CID 16931137
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylfuran-2-carboxamide
CID 32633181

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-ethyloxamide?
The IUPAC name of N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-ethyloxamide (CID 16932111) is N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-ethyloxamide.
What is the SMILES notation for N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-ethyloxamide?
The canonical SMILES for N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-ethyloxamide is CCNC(=O)C(=O)NCC(c1ccsc1)N(C)C.
What is the InChIKey of N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-ethyloxamide?
The InChIKey is PLZVZMDWHQPNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-4-13-11(16)12(17)14-7-10(15(2)3)9-5-6-18-8-9/h5-6,8,10H,4,7H2,1-3H3,(H,13,16)(H,14,17).
What are the key properties of N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-ethyloxamide?
N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-ethyloxamide has a molecular weight of 269.37 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-ethyloxamide is sourced from PubChem (CID 16932111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).