N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide

C19H21ClN2O5S2 — CID 92693469

IUPACN'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
SMILESO=C(NC[C@H]1CCCO1)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O5S2/c20-13-5-7-15(8-6-13)29(25,26)17(16-4-2-10-28-16)12-22-19(24)18(23)21-11-14-3-1-9-27-14/h2,4-8,10,14,17H,1,3,9,11-12H2,(H,21,23)(H,22,24)/t14-,17-/m1/s1
InChIKeyLKYJJDYSGNODNO-RHSMWYFYSA-N
MW456.97 g/mol
LogP2.33
Rot. Bonds7

About N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide

N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide (PubChem CID 92693469) has the molecular formula C19H21ClN2O5S2 and a molecular weight of 456.97 g/mol. Its IUPAC name is N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
PubChem CID92693469
Molecular FormulaC19H21ClN2O5S2
Molecular Weight456.97 g/mol
Exact Mass456.06
IUPAC NameN'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
SMILESO=C(NC[C@H]1CCCO1)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O5S2/c20-13-5-7-15(8-6-13)29(25,26)17(16-4-2-10-28-16)12-22-19(24)18(23)21-11-14-3-1-9-27-14/h2,4-8,10,14,17H,1,3,9,11-12H2,(H,21,23)(H,22,24)/t14-,17-/m1/s1
InChIKeyLKYJJDYSGNODNO-RHSMWYFYSA-N
XLogP2.33
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.97
LogP ≤ 52.33
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'-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 27505935
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-cyclohexyloxamide
CID 92693458
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 40774967
N'-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 9185287
N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(3-methylbutyl)oxamide
CID 27532307
N'-cyclopentyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 7268492
N'-cyclopentyl-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 41193304
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]furan-2-carboxamide
CID 7268597
N'-cyclohexyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 22584000
N'-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-[(2-chlorophenyl)methyl]oxamide
CID 40774888
N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluorobenzamide
CID 27546075
N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluorobenzamide
CID 22581594

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide?
The IUPAC name of N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide (CID 92693469) is N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide.
What is the SMILES notation for N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide?
The canonical SMILES for N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide is O=C(NC[C@H]1CCCO1)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide?
The InChIKey is LKYJJDYSGNODNO-RHSMWYFYSA-N. The full InChI is InChI=1S/C19H21ClN2O5S2/c20-13-5-7-15(8-6-13)29(25,26)17(16-4-2-10-28-16)12-22-19(24)18(23)21-11-14-3-1-9-27-14/h2,4-8,10,14,17H,1,3,9,11-12H2,(H,21,23)(H,22,24)/t14-,17-/m1/s1.
What are the key properties of N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide?
N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide has a molecular weight of 456.97 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide is sourced from PubChem (CID 92693469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).