N-(4-chloro-3-methylthiophen-2-yl)acetamide

C7H8ClNOS — CID 156745076

IUPACN-(4-chloro-3-methylthiophen-2-yl)acetamide
SMILESCC(=O)Nc1scc(Cl)c1C
InChIInChI=1S/C7H8ClNOS/c1-4-6(8)3-11-7(4)9-5(2)10/h3H,1-2H3,(H,9,10)
InChIKeyURXFREBBRLWGEB-UHFFFAOYSA-N
MW189.67 g/mol
LogP2.67
Rot. Bonds1

About N-(4-chloro-3-methylthiophen-2-yl)acetamide

N-(4-chloro-3-methylthiophen-2-yl)acetamide (PubChem CID 156745076) has the molecular formula C7H8ClNOS and a molecular weight of 189.67 g/mol. Its IUPAC name is N-(4-chloro-3-methylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylthiophen-2-yl)acetamide
PubChem CID156745076
Molecular FormulaC7H8ClNOS
Molecular Weight189.67 g/mol
Exact Mass189.00
IUPAC NameN-(4-chloro-3-methylthiophen-2-yl)acetamide
SMILESCC(=O)Nc1scc(Cl)c1C
InChIInChI=1S/C7H8ClNOS/c1-4-6(8)3-11-7(4)9-5(2)10/h3H,1-2H3,(H,9,10)
InChIKeyURXFREBBRLWGEB-UHFFFAOYSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.67
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylthiophen-2-yl)acetamide?
The IUPAC name of N-(4-chloro-3-methylthiophen-2-yl)acetamide (CID 156745076) is N-(4-chloro-3-methylthiophen-2-yl)acetamide.
What is the SMILES notation for N-(4-chloro-3-methylthiophen-2-yl)acetamide?
The canonical SMILES for N-(4-chloro-3-methylthiophen-2-yl)acetamide is CC(=O)Nc1scc(Cl)c1C.
What is the InChIKey of N-(4-chloro-3-methylthiophen-2-yl)acetamide?
The InChIKey is URXFREBBRLWGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNOS/c1-4-6(8)3-11-7(4)9-5(2)10/h3H,1-2H3,(H,9,10).
What are the key properties of N-(4-chloro-3-methylthiophen-2-yl)acetamide?
N-(4-chloro-3-methylthiophen-2-yl)acetamide has a molecular weight of 189.67 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylthiophen-2-yl)acetamide is sourced from PubChem (CID 156745076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).