N-(furan-2-ylmethyl)-N'-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]oxamide

C17H16N2O5S3 — CID 27555177

IUPACN-(furan-2-ylmethyl)-N'-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]oxamide
SMILESO=C(NCc1ccco1)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H16N2O5S3/c20-16(18-10-12-4-1-7-24-12)17(21)19-11-14(13-5-2-8-25-13)27(22,23)15-6-3-9-26-15/h1-9,14H,10-11H2,(H,18,20)(H,19,21)/t14-/m0/s1
InChIKeyXXEZIVDQRYLLMQ-AWEZNQCLSA-N
MW424.53 g/mol
LogP2.35
Rot. Bonds7

About N-(furan-2-ylmethyl)-N'-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]oxamide

N-(furan-2-ylmethyl)-N'-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]oxamide (PubChem CID 27555177) has the molecular formula C17H16N2O5S3 and a molecular weight of 424.53 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]oxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]oxamide
PubChem CID27555177
Molecular FormulaC17H16N2O5S3
Molecular Weight424.53 g/mol
Exact Mass424.02
IUPAC NameN-(furan-2-ylmethyl)-N'-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]oxamide
SMILESO=C(NCc1ccco1)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H16N2O5S3/c20-16(18-10-12-4-1-7-24-12)17(21)19-11-14(13-5-2-8-25-13)27(22,23)15-6-3-9-26-15/h1-9,14H,10-11H2,(H,18,20)(H,19,21)/t14-/m0/s1
InChIKeyXXEZIVDQRYLLMQ-AWEZNQCLSA-N
XLogP2.35
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.35
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-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)oxamide
CID 27564557
N-(furan-2-ylmethyl)-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 27506079
N-(furan-2-ylmethyl)-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 27506074
N-propyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide
CID 22584108
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 40778166
N'-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-(pyridin-2-ylmethyl)oxamide
CID 27569543
N-(1,3-benzodioxol-5-ylmethyl)-N'-[(2R)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]oxamide
CID 27555302
N'-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 40775052
N'-cyclopropyl-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 22584668
N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 22584641
2-phenyl-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)acetamide
CID 110315182
N-(furan-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 38254401

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]oxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N'-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]oxamide (CID 27555177) is N-(furan-2-ylmethyl)-N'-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]oxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]oxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]oxamide is O=C(NCc1ccco1)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]oxamide?
The InChIKey is XXEZIVDQRYLLMQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H16N2O5S3/c20-16(18-10-12-4-1-7-24-12)17(21)19-11-14(13-5-2-8-25-13)27(22,23)15-6-3-9-26-15/h1-9,14H,10-11H2,(H,18,20)(H,19,21)/t14-/m0/s1.
What are the key properties of N-(furan-2-ylmethyl)-N'-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]oxamide?
N-(furan-2-ylmethyl)-N'-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]oxamide has a molecular weight of 424.53 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N'-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]oxamide is sourced from PubChem (CID 27555177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).