N-[(5-chlorothiophen-2-yl)methoxy]acetamide

C7H8ClNO2S — CID 11084990

IUPACN-[(5-chlorothiophen-2-yl)methoxy]acetamide
SMILESCC(=O)NOCc1ccc(Cl)s1
InChIInChI=1S/C7H8ClNO2S/c1-5(10)9-11-4-6-2-3-7(8)12-6/h2-3H,4H2,1H3,(H,9,10)
InChIKeyCVPBAHNHGPIAJI-UHFFFAOYSA-N
MW205.67 g/mol
LogP1.97
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methoxy]acetamide

N-[(5-chlorothiophen-2-yl)methoxy]acetamide (PubChem CID 11084990) has the molecular formula C7H8ClNO2S and a molecular weight of 205.67 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methoxy]acetamide
PubChem CID11084990
Molecular FormulaC7H8ClNO2S
Molecular Weight205.67 g/mol
Exact Mass205.00
IUPAC NameN-[(5-chlorothiophen-2-yl)methoxy]acetamide
SMILESCC(=O)NOCc1ccc(Cl)s1
InChIInChI=1S/C7H8ClNO2S/c1-5(10)9-11-4-6-2-3-7(8)12-6/h2-3H,4H2,1H3,(H,9,10)
InChIKeyCVPBAHNHGPIAJI-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methoxy]acetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methoxy]acetamide (CID 11084990) is N-[(5-chlorothiophen-2-yl)methoxy]acetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methoxy]acetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methoxy]acetamide is CC(=O)NOCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methoxy]acetamide?
The InChIKey is CVPBAHNHGPIAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2S/c1-5(10)9-11-4-6-2-3-7(8)12-6/h2-3H,4H2,1H3,(H,9,10).
What are the key properties of N-[(5-chlorothiophen-2-yl)methoxy]acetamide?
N-[(5-chlorothiophen-2-yl)methoxy]acetamide has a molecular weight of 205.67 g/mol, XLogP of 1.97, 3 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)methoxy]acetamide is sourced from PubChem (CID 11084990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).