N'-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-ethyloxamide

C18H22N2O5S — CID 9161190

IUPACN'-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-ethyloxamide
SMILESCCNC(=O)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C18H22N2O5S/c1-4-19-17(21)18(22)20-11-16(15-6-5-9-25-15)26(23,24)14-8-7-12(2)13(3)10-14/h5-10,16H,4,11H2,1-3H3,(H,19,21)(H,20,22)/t16-/m0/s1
InChIKeyGVLHLSZUFFAAAV-INIZCTEOSA-N
MW378.45 g/mol
LogP1.66
Rot. Bonds6

About N'-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-ethyloxamide

N'-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-ethyloxamide (PubChem CID 9161190) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is N'-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-ethyloxamide.

Molecular Properties

Compound NameN'-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-ethyloxamide
PubChem CID9161190
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC NameN'-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-ethyloxamide
SMILESCCNC(=O)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C18H22N2O5S/c1-4-19-17(21)18(22)20-11-16(15-6-5-9-25-15)26(23,24)14-8-7-12(2)13(3)10-14/h5-10,16H,4,11H2,1-3H3,(H,19,21)(H,20,22)/t16-/m0/s1
InChIKeyGVLHLSZUFFAAAV-INIZCTEOSA-N
XLogP1.66
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.66
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-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide
CID 9160739
N'-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-propyloxamide
CID 9162312
N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3,4-dimethylbenzamide
CID 9161587
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 20962937
N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 26792820
N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-hydroxyethyl)oxamide
CID 7267948
N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide
CID 22584425
N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide
CID 7268216
N'-[(2S)-butan-2-yl]-N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 9162337
N-[2-(4-fluorophenyl)ethyl]-N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555072
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]oxamide
CID 40774894
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methylpropanamide
CID 7268134

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-ethyloxamide?
The IUPAC name of N'-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-ethyloxamide (CID 9161190) is N'-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-ethyloxamide.
What is the SMILES notation for N'-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-ethyloxamide?
The canonical SMILES for N'-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-ethyloxamide is CCNC(=O)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N'-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-ethyloxamide?
The InChIKey is GVLHLSZUFFAAAV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-4-19-17(21)18(22)20-11-16(15-6-5-9-25-15)26(23,24)14-8-7-12(2)13(3)10-14/h5-10,16H,4,11H2,1-3H3,(H,19,21)(H,20,22)/t16-/m0/s1.
What are the key properties of N'-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-ethyloxamide?
N'-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-ethyloxamide has a molecular weight of 378.45 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-ethyloxamide is sourced from PubChem (CID 9161190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).