N-(furan-2-ylmethyl)-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide

C20H20N2O5S2 — CID 27506074

IUPACN-(furan-2-ylmethyl)-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
SMILESCc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NCc2ccco2)c2cccs2)cc1
InChIInChI=1S/C20H20N2O5S2/c1-14-6-8-16(9-7-14)29(25,26)18(17-5-3-11-28-17)13-22-20(24)19(23)21-12-15-4-2-10-27-15/h2-11,18H,12-13H2,1H3,(H,21,23)(H,22,24)/t18-/m0/s1
InChIKeyMFSVSAOJZJTMEH-SFHVURJKSA-N
MW432.52 g/mol
LogP2.60
Rot. Bonds7

About N-(furan-2-ylmethyl)-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide

N-(furan-2-ylmethyl)-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide (PubChem CID 27506074) has the molecular formula C20H20N2O5S2 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
PubChem CID27506074
Molecular FormulaC20H20N2O5S2
Molecular Weight432.52 g/mol
Exact Mass432.08
IUPAC NameN-(furan-2-ylmethyl)-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
SMILESCc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NCc2ccco2)c2cccs2)cc1
InChIInChI=1S/C20H20N2O5S2/c1-14-6-8-16(9-7-14)29(25,26)18(17-5-3-11-28-17)13-22-20(24)19(23)21-12-15-4-2-10-27-15/h2-11,18H,12-13H2,1H3,(H,21,23)(H,22,24)/t18-/m0/s1
InChIKeyMFSVSAOJZJTMEH-SFHVURJKSA-N
XLogP2.60
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 52.60
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-(furan-2-ylmethyl)-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 27506079
N'-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)oxamide
CID 27564557
N-(furan-2-ylmethyl)-N'-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]oxamide
CID 27555177
N-[(4-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 40774914
N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(pyridin-4-ylmethyl)oxamide
CID 27506090
N'-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(pyridin-2-ylmethyl)oxamide
CID 22584011
N-[(2-chlorophenyl)methyl]-N'-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 22584028
N-(3-methylbutyl)-N'-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 22583997
N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 27505935
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-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 40774967

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide (CID 27506074) is N-(furan-2-ylmethyl)-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide is Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NCc2ccco2)c2cccs2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide?
The InChIKey is MFSVSAOJZJTMEH-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20N2O5S2/c1-14-6-8-16(9-7-14)29(25,26)18(17-5-3-11-28-17)13-22-20(24)19(23)21-12-15-4-2-10-27-15/h2-11,18H,12-13H2,1H3,(H,21,23)(H,22,24)/t18-/m0/s1.
What are the key properties of N-(furan-2-ylmethyl)-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide?
N-(furan-2-ylmethyl)-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide has a molecular weight of 432.52 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide is sourced from PubChem (CID 27506074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).