N'-[(2S)-butan-2-yl]-N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide

C20H26N2O5S — CID 9162337

IUPACN'-[(2S)-butan-2-yl]-N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
SMILESCC[C@H](C)NC(=O)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C20H26N2O5S/c1-5-15(4)22-20(24)19(23)21-12-18(16-7-6-10-27-16)28(25,26)17-11-13(2)8-9-14(17)3/h6-11,15,18H,5,12H2,1-4H3,(H,21,23)(H,22,24)/t15-,18-/m0/s1
InChIKeyMEEXBSMKCQIABX-YJBOKZPZSA-N
MW406.50 g/mol
LogP2.44
Rot. Bonds7

About N'-[(2S)-butan-2-yl]-N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide

N'-[(2S)-butan-2-yl]-N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide (PubChem CID 9162337) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is N'-[(2S)-butan-2-yl]-N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[(2S)-butan-2-yl]-N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
PubChem CID9162337
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC NameN'-[(2S)-butan-2-yl]-N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
SMILESCC[C@H](C)NC(=O)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C20H26N2O5S/c1-5-15(4)22-20(24)19(23)21-12-18(16-7-6-10-27-16)28(25,26)17-11-13(2)8-9-14(17)3/h6-11,15,18H,5,12H2,1-4H3,(H,21,23)(H,22,24)/t15-,18-/m0/s1
InChIKeyMEEXBSMKCQIABX-YJBOKZPZSA-N
XLogP2.44
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.44
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'-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-propyloxamide
CID 9162312
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]acetamide
CID 9162152
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 9162349
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3,4-dimethylbenzamide
CID 9162211
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide
CID 9162240
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 9162197
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]cyclohexanecarboxamide
CID 9162182
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 9162221
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 9162219
N'-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-ethyloxamide
CID 9161190
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methylpropanamide
CID 7268134
N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide
CID 22584425

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-butan-2-yl]-N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide?
The IUPAC name of N'-[(2S)-butan-2-yl]-N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide (CID 9162337) is N'-[(2S)-butan-2-yl]-N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide.
What is the SMILES notation for N'-[(2S)-butan-2-yl]-N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide?
The canonical SMILES for N'-[(2S)-butan-2-yl]-N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide is CC[C@H](C)NC(=O)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of N'-[(2S)-butan-2-yl]-N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide?
The InChIKey is MEEXBSMKCQIABX-YJBOKZPZSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-5-15(4)22-20(24)19(23)21-12-18(16-7-6-10-27-16)28(25,26)17-11-13(2)8-9-14(17)3/h6-11,15,18H,5,12H2,1-4H3,(H,21,23)(H,22,24)/t15-,18-/m0/s1.
What are the key properties of N'-[(2S)-butan-2-yl]-N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide?
N'-[(2S)-butan-2-yl]-N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide has a molecular weight of 406.50 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-butan-2-yl]-N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide is sourced from PubChem (CID 9162337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).