N'-(5-chlorothiophen-2-yl)oxamide

C6H5ClN2O2S — CID 115191529

IUPACN'-(5-chlorothiophen-2-yl)oxamide
SMILESNC(=O)C(=O)Nc1ccc(Cl)s1
InChIInChI=1S/C6H5ClN2O2S/c7-3-1-2-4(12-3)9-6(11)5(8)10/h1-2H,(H2,8,10)(H,9,11)
InChIKeyHBHYWWLKURUPQT-UHFFFAOYSA-N
MW204.64 g/mol
LogP0.83
Rot. Bonds1

About N'-(5-chlorothiophen-2-yl)oxamide

N'-(5-chlorothiophen-2-yl)oxamide (PubChem CID 115191529) has the molecular formula C6H5ClN2O2S and a molecular weight of 204.64 g/mol. Its IUPAC name is N'-(5-chlorothiophen-2-yl)oxamide.

Molecular Properties

Compound NameN'-(5-chlorothiophen-2-yl)oxamide
PubChem CID115191529
Molecular FormulaC6H5ClN2O2S
Molecular Weight204.64 g/mol
Exact Mass203.98
IUPAC NameN'-(5-chlorothiophen-2-yl)oxamide
SMILESNC(=O)C(=O)Nc1ccc(Cl)s1
InChIInChI=1S/C6H5ClN2O2S/c7-3-1-2-4(12-3)9-6(11)5(8)10/h1-2H,(H2,8,10)(H,9,11)
InChIKeyHBHYWWLKURUPQT-UHFFFAOYSA-N
XLogP0.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.64
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chlorothiophen-2-yl)acetamide
CID 11492022
N-(5-chlorothiophen-2-yl)-2,2,2-trifluoroacetamide
CID 115190102
N-(4,5-dichloro-2-thienyl)acetamide
CID 16640236
6-Chloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
CID 19100724
Lithium 2-[(5-chlorothiophen-2-yl)amino]-2-oxoacetate
CID 58893643
2-[(5-Chlorothiophen-2-yl)amino]-2-oxoacetic acid
CID 58893644
Methyl 2-[(5-chloro-2-thienyl)amino]-2-oxoacetate
CID 59677077
(5-Chlorothiophen-2-yl)carbamic acid
CID 69255462
2-chloro-N-(5-chlorothiophen-2-yl)acetamide
CID 69451348
(5-Chlorothiophen-2-yl)urea
CID 83529731
N-(5-chlorothiophen-2-yl)formamide
CID 87756625
N-(5-chlorothiophen-2-yl)-2-oxoacetamide
CID 90295618

Frequently Asked Questions

What is the IUPAC name of N'-(5-chlorothiophen-2-yl)oxamide?
The IUPAC name of N'-(5-chlorothiophen-2-yl)oxamide (CID 115191529) is N'-(5-chlorothiophen-2-yl)oxamide.
What is the SMILES notation for N'-(5-chlorothiophen-2-yl)oxamide?
The canonical SMILES for N'-(5-chlorothiophen-2-yl)oxamide is NC(=O)C(=O)Nc1ccc(Cl)s1.
What is the InChIKey of N'-(5-chlorothiophen-2-yl)oxamide?
The InChIKey is HBHYWWLKURUPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O2S/c7-3-1-2-4(12-3)9-6(11)5(8)10/h1-2H,(H2,8,10)(H,9,11).
What are the key properties of N'-(5-chlorothiophen-2-yl)oxamide?
N'-(5-chlorothiophen-2-yl)oxamide has a molecular weight of 204.64 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chlorothiophen-2-yl)oxamide is sourced from PubChem (CID 115191529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).