N'-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]oxamide

C17H17FN2O4S2 — CID 9182679

IUPACN'-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]oxamide
SMILESO=C(NC[C@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1)C(=O)NC1CC1
InChIInChI=1S/C17H17FN2O4S2/c18-12-5-3-11(4-6-12)14(26(23,24)15-2-1-9-25-15)10-19-16(21)17(22)20-13-7-8-13/h1-6,9,13-14H,7-8,10H2,(H,19,21)(H,20,22)/t14-/m1/s1
InChIKeyADHLDVJEMLANHJ-CQSZACIVSA-N
MW396.47 g/mol
LogP1.80
Rot. Bonds6

About N'-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]oxamide

N'-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]oxamide (PubChem CID 9182679) has the molecular formula C17H17FN2O4S2 and a molecular weight of 396.47 g/mol. Its IUPAC name is N'-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]oxamide.

Molecular Properties

Compound NameN'-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]oxamide
PubChem CID9182679
Molecular FormulaC17H17FN2O4S2
Molecular Weight396.47 g/mol
Exact Mass396.06
IUPAC NameN'-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]oxamide
SMILESO=C(NC[C@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1)C(=O)NC1CC1
InChIInChI=1S/C17H17FN2O4S2/c18-12-5-3-11(4-6-12)14(26(23,24)15-2-1-9-25-15)10-19-16(21)17(22)20-13-7-8-13/h1-6,9,13-14H,7-8,10H2,(H,19,21)(H,20,22)/t14-/m1/s1
InChIKeyADHLDVJEMLANHJ-CQSZACIVSA-N
XLogP1.80
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 51.80
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-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9181764
N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide
CID 9182162
N'-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-N-prop-2-enyloxamide
CID 9182698
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopentanecarboxamide
CID 110406562
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-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 44649417
N'-cyclopentyl-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 41193304
4-fluoro-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 44649058
N'-cyclohexyl-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 22584643
N'-cyclohexyl-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 7268303
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]morpholine-4-carboxamide
CID 110429146

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]oxamide?
The IUPAC name of N'-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]oxamide (CID 9182679) is N'-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]oxamide.
What is the SMILES notation for N'-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]oxamide?
The canonical SMILES for N'-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]oxamide is O=C(NC[C@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1)C(=O)NC1CC1.
What is the InChIKey of N'-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]oxamide?
The InChIKey is ADHLDVJEMLANHJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17FN2O4S2/c18-12-5-3-11(4-6-12)14(26(23,24)15-2-1-9-25-15)10-19-16(21)17(22)20-13-7-8-13/h1-6,9,13-14H,7-8,10H2,(H,19,21)(H,20,22)/t14-/m1/s1.
What are the key properties of N'-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]oxamide?
N'-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]oxamide has a molecular weight of 396.47 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]oxamide is sourced from PubChem (CID 9182679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).