2-(2-chloro-5-methylphenoxy)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide

C16H15ClN2O2S — CID 2225455

IUPAC2-(2-chloro-5-methylphenoxy)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
SMILESCc1ccc(Cl)c(OCC(=O)Nc2sc(C)c(C)c2C#N)c1
InChIInChI=1S/C16H15ClN2O2S/c1-9-4-5-13(17)14(6-9)21-8-15(20)19-16-12(7-18)10(2)11(3)22-16/h4-6H,8H2,1-3H3,(H,19,20)
InChIKeyQIXOCFWYPKPEIP-UHFFFAOYSA-N
MW334.83 g/mol
LogP4.22
Rot. Bonds4

About 2-(2-chloro-5-methylphenoxy)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide

2-(2-chloro-5-methylphenoxy)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide (PubChem CID 2225455) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
PubChem CID2225455
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
SMILESCc1ccc(Cl)c(OCC(=O)Nc2sc(C)c(C)c2C#N)c1
InChIInChI=1S/C16H15ClN2O2S/c1-9-4-5-13(17)14(6-9)21-8-15(20)19-16-12(7-18)10(2)11(3)22-16/h4-6H,8H2,1-3H3,(H,19,20)
InChIKeyQIXOCFWYPKPEIP-UHFFFAOYSA-N
XLogP4.22
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-Cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-m-tolyloxy-acetamide
CID 924827
N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-phenoxyacetamide
CID 1246602
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenoxyacetamide
CID 871259
2-(4-chlorophenoxy)-N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)acetamide
CID 1420505
2-(4-chloro-3-methylphenoxy)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetamide
CID 2790258
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 4637032
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3-fluorophenoxy)acetamide
CID 2388565
2-(4-chloro-2-methylphenoxy)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
CID 3154710
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide
CID 984888
AK-968/37005290
CID 2852487
2-(3-chlorophenoxy)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)propanamide
CID 3321179
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide
CID 2849869

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide (CID 2225455) is 2-(2-chloro-5-methylphenoxy)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide is Cc1ccc(Cl)c(OCC(=O)Nc2sc(C)c(C)c2C#N)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
The InChIKey is QIXOCFWYPKPEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S/c1-9-4-5-13(17)14(6-9)21-8-15(20)19-16-12(7-18)10(2)11(3)22-16/h4-6H,8H2,1-3H3,(H,19,20).
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
2-(2-chloro-5-methylphenoxy)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide has a molecular weight of 334.83 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide is sourced from PubChem (CID 2225455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).