N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide

C16H21N3O5S2 — CID 22584641

IUPACN-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
SMILESCN(C)CCNC(=O)C(=O)NCC(c1ccco1)S(=O)(=O)c1cccs1
InChIInChI=1S/C16H21N3O5S2/c1-19(2)8-7-17-15(20)16(21)18-11-13(12-5-3-9-24-12)26(22,23)14-6-4-10-25-14/h3-6,9-10,13H,7-8,11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyFGURUDBXPLLHRL-UHFFFAOYSA-N
MW399.49 g/mol
LogP0.65
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide

N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide (PubChem CID 22584641) has the molecular formula C16H21N3O5S2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
PubChem CID22584641
Molecular FormulaC16H21N3O5S2
Molecular Weight399.49 g/mol
Exact Mass399.09
IUPAC NameN-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
SMILESCN(C)CCNC(=O)C(=O)NCC(c1ccco1)S(=O)(=O)c1cccs1
InChIInChI=1S/C16H21N3O5S2/c1-19(2)8-7-17-15(20)16(21)18-11-13(12-5-3-9-24-12)26(22,23)14-6-4-10-25-14/h3-6,9-10,13H,7-8,11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyFGURUDBXPLLHRL-UHFFFAOYSA-N
XLogP0.65
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-(3-phenylpropyl)oxamide
CID 27558122
N'-cyclopropyl-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 22584668
N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]butanamide
CID 7268311
N'-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-(pyridin-2-ylmethyl)oxamide
CID 27569543
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 40778166
N'-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 40775052
N'-cyclohexyl-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 7268303
N'-cyclohexyl-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 22584643
N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 22584662
4-chloro-N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 7268351
N-(furan-2-ylmethyl)-N'-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]oxamide
CID 27555177
N-propyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide
CID 22584108

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide (CID 22584641) is N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide is CN(C)CCNC(=O)C(=O)NCC(c1ccco1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide?
The InChIKey is FGURUDBXPLLHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5S2/c1-19(2)8-7-17-15(20)16(21)18-11-13(12-5-3-9-24-12)26(22,23)14-6-4-10-25-14/h3-6,9-10,13H,7-8,11H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide?
N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide has a molecular weight of 399.49 g/mol, XLogP of 0.65, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide is sourced from PubChem (CID 22584641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).