N-(5-chlorothiophen-2-yl)-2-oxoacetamide

C6H4ClNO2S — CID 90295618

IUPACN-(5-chlorothiophen-2-yl)-2-oxoacetamide
SMILESO=CC(=O)Nc1ccc(Cl)s1
InChIInChI=1S/C6H4ClNO2S/c7-4-1-2-6(11-4)8-5(10)3-9/h1-3H,(H,8,10)
InChIKeyBIXPPYVRENAMRG-UHFFFAOYSA-N
MW189.62 g/mol
LogP1.54
Rot. Bonds2

About N-(5-chlorothiophen-2-yl)-2-oxoacetamide

N-(5-chlorothiophen-2-yl)-2-oxoacetamide (PubChem CID 90295618) has the molecular formula C6H4ClNO2S and a molecular weight of 189.62 g/mol. Its IUPAC name is N-(5-chlorothiophen-2-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(5-chlorothiophen-2-yl)-2-oxoacetamide
PubChem CID90295618
Molecular FormulaC6H4ClNO2S
Molecular Weight189.62 g/mol
Exact Mass188.97
IUPAC NameN-(5-chlorothiophen-2-yl)-2-oxoacetamide
SMILESO=CC(=O)Nc1ccc(Cl)s1
InChIInChI=1S/C6H4ClNO2S/c7-4-1-2-6(11-4)8-5(10)3-9/h1-3H,(H,8,10)
InChIKeyBIXPPYVRENAMRG-UHFFFAOYSA-N
XLogP1.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.62
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chlorothiophen-2-yl)acetamide
CID 11492022
Glyoxylylaminothiophene
CID 22166389
N-(5-chlorothiophen-2-yl)-2,2,2-trifluoroacetamide
CID 115190102
N-(4,5-dichloro-2-thienyl)acetamide
CID 16640236
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
N-(5-chlorothiophen-2-yl)formamide
CID 87756625
(5-Chlorothiophen-2-yl)-(2-oxoethyl)carbamic acid
CID 89478548
N'-(5-chlorothiophen-2-yl)oxamide
CID 115191529

Frequently Asked Questions

What is the IUPAC name of N-(5-chlorothiophen-2-yl)-2-oxoacetamide?
The IUPAC name of N-(5-chlorothiophen-2-yl)-2-oxoacetamide (CID 90295618) is N-(5-chlorothiophen-2-yl)-2-oxoacetamide.
What is the SMILES notation for N-(5-chlorothiophen-2-yl)-2-oxoacetamide?
The canonical SMILES for N-(5-chlorothiophen-2-yl)-2-oxoacetamide is O=CC(=O)Nc1ccc(Cl)s1.
What is the InChIKey of N-(5-chlorothiophen-2-yl)-2-oxoacetamide?
The InChIKey is BIXPPYVRENAMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNO2S/c7-4-1-2-6(11-4)8-5(10)3-9/h1-3H,(H,8,10).
What are the key properties of N-(5-chlorothiophen-2-yl)-2-oxoacetamide?
N-(5-chlorothiophen-2-yl)-2-oxoacetamide has a molecular weight of 189.62 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chlorothiophen-2-yl)-2-oxoacetamide is sourced from PubChem (CID 90295618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).