N'-(2,4-dimethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide

C17H20N2O5S — CID 90496945

IUPACN'-(2,4-dimethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCC(O)c2sccc2C)c(OC)c1
InChIInChI=1S/C17H20N2O5S/c1-10-6-7-25-15(10)13(20)9-18-16(21)17(22)19-12-5-4-11(23-2)8-14(12)24-3/h4-8,13,20H,9H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyDHXOGSDPIGHKFM-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.86
Rot. Bonds6

About N'-(2,4-dimethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide

N'-(2,4-dimethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide (PubChem CID 90496945) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is N'-(2,4-dimethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,4-dimethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
PubChem CID90496945
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC NameN'-(2,4-dimethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCC(O)c2sccc2C)c(OC)c1
InChIInChI=1S/C17H20N2O5S/c1-10-6-7-25-15(10)13(20)9-18-16(21)17(22)19-12-5-4-11(23-2)8-14(12)24-3/h4-8,13,20H,9H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyDHXOGSDPIGHKFM-UHFFFAOYSA-N
XLogP1.86
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496929
N'-(4-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496926
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 90496752
N'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496911
N'-(2,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 3220610
N'-(2,4-dimethoxyphenyl)-N-propyloxamide
CID 44995967
N'-(2,4-dimethoxyphenyl)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]oxamide
CID 90598245
N-(2,4-dimethoxyphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide
CID 6880599
N'-(2,4-dimethoxyphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide
CID 90499706
N-[2-methoxy-4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 63992830
N'-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)oxamide
CID 44995689
N'-(2,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
CID 41454099

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide?
The IUPAC name of N'-(2,4-dimethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide (CID 90496945) is N'-(2,4-dimethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide.
What is the SMILES notation for N'-(2,4-dimethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide?
The canonical SMILES for N'-(2,4-dimethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide is COc1ccc(NC(=O)C(=O)NCC(O)c2sccc2C)c(OC)c1.
What is the InChIKey of N'-(2,4-dimethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide?
The InChIKey is DHXOGSDPIGHKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-10-6-7-25-15(10)13(20)9-18-16(21)17(22)19-12-5-4-11(23-2)8-14(12)24-3/h4-8,13,20H,9H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N'-(2,4-dimethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide?
N'-(2,4-dimethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide has a molecular weight of 364.42 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide is sourced from PubChem (CID 90496945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).