N'-cyclopentyl-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide

C19H21FN2O4S2 — CID 41193304

IUPACN'-cyclopentyl-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
SMILESO=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C19H21FN2O4S2/c20-13-7-9-15(10-8-13)28(25,26)17(16-6-3-11-27-16)12-21-18(23)19(24)22-14-4-1-2-5-14/h3,6-11,14,17H,1-2,4-5,12H2,(H,21,23)(H,22,24)/t17-/m0/s1
InChIKeyOBOALYBISNNSLU-KRWDZBQOSA-N
MW424.52 g/mol
LogP2.58
Rot. Bonds6

About N'-cyclopentyl-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide

N'-cyclopentyl-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide (PubChem CID 41193304) has the molecular formula C19H21FN2O4S2 and a molecular weight of 424.52 g/mol. Its IUPAC name is N'-cyclopentyl-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
PubChem CID41193304
Molecular FormulaC19H21FN2O4S2
Molecular Weight424.52 g/mol
Exact Mass424.09
IUPAC NameN'-cyclopentyl-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
SMILESO=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C19H21FN2O4S2/c20-13-7-9-15(10-8-13)28(25,26)17(16-6-3-11-27-16)12-21-18(23)19(24)22-14-4-1-2-5-14/h3,6-11,14,17H,1-2,4-5,12H2,(H,21,23)(H,22,24)/t17-/m0/s1
InChIKeyOBOALYBISNNSLU-KRWDZBQOSA-N
XLogP2.58
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 52.58
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'-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-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-cyclohexyloxamide
CID 92693458
N'-cyclopropyl-N-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 9162725
N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(pyridin-2-ylmethyl)oxamide
CID 41184417
N'-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9182679
N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(pyridin-4-ylmethyl)oxamide
CID 41184419
N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(2-phenylethyl)oxamide
CID 27558175
4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 22584082
ethyl 2-[[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]amino]-2-oxoacetate
CID 7279848
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 7279927
2,6-difluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 27545836

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide?
The IUPAC name of N'-cyclopentyl-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide (CID 41193304) is N'-cyclopentyl-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide.
What is the SMILES notation for N'-cyclopentyl-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide?
The canonical SMILES for N'-cyclopentyl-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide is O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)C(=O)NC1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide?
The InChIKey is OBOALYBISNNSLU-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21FN2O4S2/c20-13-7-9-15(10-8-13)28(25,26)17(16-6-3-11-27-16)12-21-18(23)19(24)22-14-4-1-2-5-14/h3,6-11,14,17H,1-2,4-5,12H2,(H,21,23)(H,22,24)/t17-/m0/s1.
What are the key properties of N'-cyclopentyl-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide?
N'-cyclopentyl-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide has a molecular weight of 424.52 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide is sourced from PubChem (CID 41193304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).