N'-[2-(dimethylcarbamoyl)phenyl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide

C18H21N3O3S — CID 86997168

IUPACN'-[2-(dimethylcarbamoyl)phenyl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide
SMILESCCc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)N(C)C)s1
InChIInChI=1S/C18H21N3O3S/c1-4-12-9-10-13(25-12)11-19-16(22)17(23)20-15-8-6-5-7-14(15)18(24)21(2)3/h5-10H,4,11H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyQDWDELZBTZIGBV-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.27
Rot. Bonds5

About N'-[2-(dimethylcarbamoyl)phenyl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide

N'-[2-(dimethylcarbamoyl)phenyl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide (PubChem CID 86997168) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N'-[2-(dimethylcarbamoyl)phenyl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-[2-(dimethylcarbamoyl)phenyl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide
PubChem CID86997168
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN'-[2-(dimethylcarbamoyl)phenyl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide
SMILESCCc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)N(C)C)s1
InChIInChI=1S/C18H21N3O3S/c1-4-12-9-10-13(25-12)11-19-16(22)17(23)20-15-8-6-5-7-14(15)18(24)21(2)3/h5-10H,4,11H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyQDWDELZBTZIGBV-UHFFFAOYSA-N
XLogP2.27
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylcarbamoyl)phenyl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide?
The IUPAC name of N'-[2-(dimethylcarbamoyl)phenyl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide (CID 86997168) is N'-[2-(dimethylcarbamoyl)phenyl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide.
What is the SMILES notation for N'-[2-(dimethylcarbamoyl)phenyl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide?
The canonical SMILES for N'-[2-(dimethylcarbamoyl)phenyl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide is CCc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)N(C)C)s1.
What is the InChIKey of N'-[2-(dimethylcarbamoyl)phenyl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide?
The InChIKey is QDWDELZBTZIGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-4-12-9-10-13(25-12)11-19-16(22)17(23)20-15-8-6-5-7-14(15)18(24)21(2)3/h5-10H,4,11H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N'-[2-(dimethylcarbamoyl)phenyl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide?
N'-[2-(dimethylcarbamoyl)phenyl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide has a molecular weight of 359.45 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylcarbamoyl)phenyl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide is sourced from PubChem (CID 86997168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).