N'-cyclohexyl-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide

C18H22N2O5S2 — CID 7268303

IUPACN'-cyclohexyl-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
SMILESO=C(NC[C@H](c1ccco1)S(=O)(=O)c1cccs1)C(=O)NC1CCCCC1
InChIInChI=1S/C18H22N2O5S2/c21-17(18(22)20-13-6-2-1-3-7-13)19-12-15(14-8-4-10-25-14)27(23,24)16-9-5-11-26-16/h4-5,8-11,13,15H,1-3,6-7,12H2,(H,19,21)(H,20,22)/t15-/m1/s1
InChIKeyXSMBENUIFVAUKA-OAHLLOKOSA-N
MW410.52 g/mol
LogP2.42
Rot. Bonds6

About N'-cyclohexyl-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide

N'-cyclohexyl-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide (PubChem CID 7268303) has the molecular formula C18H22N2O5S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N'-cyclohexyl-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
PubChem CID7268303
Molecular FormulaC18H22N2O5S2
Molecular Weight410.52 g/mol
Exact Mass410.10
IUPAC NameN'-cyclohexyl-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
SMILESO=C(NC[C@H](c1ccco1)S(=O)(=O)c1cccs1)C(=O)NC1CCCCC1
InChIInChI=1S/C18H22N2O5S2/c21-17(18(22)20-13-6-2-1-3-7-13)19-12-15(14-8-4-10-25-14)27(23,24)16-9-5-11-26-16/h4-5,8-11,13,15H,1-3,6-7,12H2,(H,19,21)(H,20,22)/t15-/m1/s1
InChIKeyXSMBENUIFVAUKA-OAHLLOKOSA-N
XLogP2.42
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclohexyl-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 22584643
N'-cyclopropyl-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 22584668
1-cyclohexyl-3-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]urea
CID 110315206
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N'-cycloheptyloxamide
CID 27555026
N'-cyclohexyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9152883
N'-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-(pyridin-2-ylmethyl)oxamide
CID 27569543
N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 22584641
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 40778166
N'-cyclopropyl-N-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9181764
N'-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9182679
N'-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-(3-phenylpropyl)oxamide
CID 27558122
N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]butanamide
CID 7268311

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide?
The IUPAC name of N'-cyclohexyl-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide (CID 7268303) is N'-cyclohexyl-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide.
What is the SMILES notation for N'-cyclohexyl-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide?
The canonical SMILES for N'-cyclohexyl-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide is O=C(NC[C@H](c1ccco1)S(=O)(=O)c1cccs1)C(=O)NC1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide?
The InChIKey is XSMBENUIFVAUKA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N2O5S2/c21-17(18(22)20-13-6-2-1-3-7-13)19-12-15(14-8-4-10-25-14)27(23,24)16-9-5-11-26-16/h4-5,8-11,13,15H,1-3,6-7,12H2,(H,19,21)(H,20,22)/t15-/m1/s1.
What are the key properties of N'-cyclohexyl-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide?
N'-cyclohexyl-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide has a molecular weight of 410.52 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide is sourced from PubChem (CID 7268303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).