N'-cyclopropyl-N-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]oxamide

C18H20N2O4S2 — CID 9181764

IUPACN'-cyclopropyl-N-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]oxamide
SMILESCc1ccc([C@H](CNC(=O)C(=O)NC2CC2)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C18H20N2O4S2/c1-12-4-6-13(7-5-12)15(26(23,24)16-3-2-10-25-16)11-19-17(21)18(22)20-14-8-9-14/h2-7,10,14-15H,8-9,11H2,1H3,(H,19,21)(H,20,22)/t15-/m0/s1
InChIKeyDHJDAASONUSUNG-HNNXBMFYSA-N
MW392.50 g/mol
LogP1.97
Rot. Bonds6

About N'-cyclopropyl-N-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]oxamide

N'-cyclopropyl-N-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]oxamide (PubChem CID 9181764) has the molecular formula C18H20N2O4S2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N'-cyclopropyl-N-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]oxamide.

Molecular Properties

Compound NameN'-cyclopropyl-N-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]oxamide
PubChem CID9181764
Molecular FormulaC18H20N2O4S2
Molecular Weight392.50 g/mol
Exact Mass392.09
IUPAC NameN'-cyclopropyl-N-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]oxamide
SMILESCc1ccc([C@H](CNC(=O)C(=O)NC2CC2)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C18H20N2O4S2/c1-12-4-6-13(7-5-12)15(26(23,24)16-3-2-10-25-16)11-19-17(21)18(22)20-14-8-9-14/h2-7,10,14-15H,8-9,11H2,1H3,(H,19,21)(H,20,22)/t15-/m0/s1
InChIKeyDHJDAASONUSUNG-HNNXBMFYSA-N
XLogP1.97
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9182679
N'-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]-N-propyloxamide
CID 9181718
N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]-N'-propan-2-yloxamide
CID 9181738
N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9181107
N'-cyclopropyl-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 22584668
N'-cyclohexyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9152883
N'-cyclopentyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 7268492
N'-cyclohexyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 22584000
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
3-methyl-N-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9181313
3,4-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9181348

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]oxamide?
The IUPAC name of N'-cyclopropyl-N-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]oxamide (CID 9181764) is N'-cyclopropyl-N-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]oxamide.
What is the SMILES notation for N'-cyclopropyl-N-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]oxamide?
The canonical SMILES for N'-cyclopropyl-N-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]oxamide is Cc1ccc([C@H](CNC(=O)C(=O)NC2CC2)S(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N'-cyclopropyl-N-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]oxamide?
The InChIKey is DHJDAASONUSUNG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N2O4S2/c1-12-4-6-13(7-5-12)15(26(23,24)16-3-2-10-25-16)11-19-17(21)18(22)20-14-8-9-14/h2-7,10,14-15H,8-9,11H2,1H3,(H,19,21)(H,20,22)/t15-/m0/s1.
What are the key properties of N'-cyclopropyl-N-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]oxamide?
N'-cyclopropyl-N-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]oxamide has a molecular weight of 392.50 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]oxamide is sourced from PubChem (CID 9181764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).