N'-(4-ethoxyphenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide

C18H22N2O4S — CID 90598587

IUPACN'-(4-ethoxyphenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCC(OC)c2ccc(C)s2)cc1
InChIInChI=1S/C18H22N2O4S/c1-4-24-14-8-6-13(7-9-14)20-18(22)17(21)19-11-15(23-3)16-10-5-12(2)25-16/h5-10,15H,4,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyZJLSATCECIYRHN-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.90
Rot. Bonds7

About N'-(4-ethoxyphenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide

N'-(4-ethoxyphenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide (PubChem CID 90598587) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N'-(4-ethoxyphenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-ethoxyphenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
PubChem CID90598587
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN'-(4-ethoxyphenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCC(OC)c2ccc(C)s2)cc1
InChIInChI=1S/C18H22N2O4S/c1-4-24-14-8-6-13(7-9-14)20-18(22)17(21)19-11-15(23-3)16-10-5-12(2)25-16/h5-10,15H,4,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyZJLSATCECIYRHN-UHFFFAOYSA-N
XLogP2.90
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.90
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'-(3-fluorophenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
CID 90598559
N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
CID 97417576
1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-phenylurea
CID 90598631
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
N'-(4-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496926
N'-(4-ethoxyphenyl)-N-[(2R)-2-phenylpropyl]oxamide
CID 40977164
N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 97417586
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(4-ethoxyphenyl)oxamide
CID 7192210
N'-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]oxamide
CID 121133625
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide
CID 95347120
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide
CID 90613607
ethyl 2-(4-ethoxyanilino)-2-oxoacetate
CID 2204010

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxyphenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide?
The IUPAC name of N'-(4-ethoxyphenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide (CID 90598587) is N'-(4-ethoxyphenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide.
What is the SMILES notation for N'-(4-ethoxyphenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide?
The canonical SMILES for N'-(4-ethoxyphenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide is CCOc1ccc(NC(=O)C(=O)NCC(OC)c2ccc(C)s2)cc1.
What is the InChIKey of N'-(4-ethoxyphenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide?
The InChIKey is ZJLSATCECIYRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-4-24-14-8-6-13(7-9-14)20-18(22)17(21)19-11-15(23-3)16-10-5-12(2)25-16/h5-10,15H,4,11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N'-(4-ethoxyphenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide?
N'-(4-ethoxyphenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide has a molecular weight of 362.45 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxyphenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide is sourced from PubChem (CID 90598587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).