N'-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide

C20H20N2O4S — CID 129416529

IUPACN'-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NC[C@](O)(c2ccco2)c2cccs2)cc1C
InChIInChI=1S/C20H20N2O4S/c1-13-7-8-15(11-14(13)2)22-19(24)18(23)21-12-20(25,16-5-3-9-26-16)17-6-4-10-27-17/h3-11,25H,12H2,1-2H3,(H,21,23)(H,22,24)/t20-/m0/s1
InChIKeyDSOWZYAOGOMYEZ-FQEVSTJZSA-N
MW384.46 g/mol
LogP2.95
Rot. Bonds5

About N'-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide

N'-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide (PubChem CID 129416529) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is N'-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide.

Molecular Properties

Compound NameN'-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide
PubChem CID129416529
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC NameN'-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NC[C@](O)(c2ccco2)c2cccs2)cc1C
InChIInChI=1S/C20H20N2O4S/c1-13-7-8-15(11-14(13)2)22-19(24)18(23)21-12-20(25,16-5-3-9-26-16)17-6-4-10-27-17/h3-11,25H,12H2,1-2H3,(H,21,23)(H,22,24)/t20-/m0/s1
InChIKeyDSOWZYAOGOMYEZ-FQEVSTJZSA-N
XLogP2.95
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(3,4-dimethylphenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]oxamide
CID 95983351
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 129416791
N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-methylbenzamide
CID 100687429
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-methylbenzamide
CID 91816630
1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]urea
CID 129417963
(E)-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-phenylprop-2-enamide
CID 100687563
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 100688805
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
CID 91816673
N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170293
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
CID 100687794
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide
CID 124891179
1-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)urea
CID 121085634

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide?
The IUPAC name of N'-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide (CID 129416529) is N'-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide.
What is the SMILES notation for N'-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide?
The canonical SMILES for N'-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide is Cc1ccc(NC(=O)C(=O)NC[C@](O)(c2ccco2)c2cccs2)cc1C.
What is the InChIKey of N'-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide?
The InChIKey is DSOWZYAOGOMYEZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-13-7-8-15(11-14(13)2)22-19(24)18(23)21-12-20(25,16-5-3-9-26-16)17-6-4-10-27-17/h3-11,25H,12H2,1-2H3,(H,21,23)(H,22,24)/t20-/m0/s1.
What are the key properties of N'-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide?
N'-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide has a molecular weight of 384.46 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide is sourced from PubChem (CID 129416529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).