N'-(5-chloro-2-methylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide

C18H15ClN2O3S — CID 122264516

IUPACN'-(5-chloro-2-methylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(-c2cccs2)o1
InChIInChI=1S/C18H15ClN2O3S/c1-11-4-5-12(19)9-14(11)21-18(23)17(22)20-10-13-6-7-15(24-13)16-3-2-8-25-16/h2-9H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyBFQSAXYMKXPMCK-UHFFFAOYSA-N
MW374.85 g/mol
LogP4.22
Rot. Bonds4

About N'-(5-chloro-2-methylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide

N'-(5-chloro-2-methylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide (PubChem CID 122264516) has the molecular formula C18H15ClN2O3S and a molecular weight of 374.85 g/mol. Its IUPAC name is N'-(5-chloro-2-methylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
PubChem CID122264516
Molecular FormulaC18H15ClN2O3S
Molecular Weight374.85 g/mol
Exact Mass374.05
IUPAC NameN'-(5-chloro-2-methylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(-c2cccs2)o1
InChIInChI=1S/C18H15ClN2O3S/c1-11-4-5-12(19)9-14(11)21-18(23)17(22)20-10-13-6-7-15(24-13)16-3-2-8-25-16/h2-9H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyBFQSAXYMKXPMCK-UHFFFAOYSA-N
XLogP4.22
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,5-dimethylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264488
N'-(2,5-dimethoxyphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264524
N'-(4-fluorophenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264483
N'-(3-methylsulfanylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264511
N'-(1,2-oxazol-3-yl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 119101833
N'-cyclopropyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264467
N-[(5-thiophen-2-ylfuran-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121019149
2-chloro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
CID 119101790
1-propan-2-yl-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea
CID 122264543
2-chloro-6-fluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
CID 121019111
1-[(5-thiophen-2-ylfuran-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 121019157
N'-(5-chloro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide
CID 111337573

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide?
The IUPAC name of N'-(5-chloro-2-methylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide (CID 122264516) is N'-(5-chloro-2-methylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide.
What is the SMILES notation for N'-(5-chloro-2-methylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide?
The canonical SMILES for N'-(5-chloro-2-methylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide is Cc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(-c2cccs2)o1.
What is the InChIKey of N'-(5-chloro-2-methylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide?
The InChIKey is BFQSAXYMKXPMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3S/c1-11-4-5-12(19)9-14(11)21-18(23)17(22)20-10-13-6-7-15(24-13)16-3-2-8-25-16/h2-9H,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-(5-chloro-2-methylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide?
N'-(5-chloro-2-methylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide has a molecular weight of 374.85 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide is sourced from PubChem (CID 122264516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).