2-(3-chlorophenoxy)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)propanamide

C17H17ClN2O2S — CID 3321179

IUPAC2-(3-chlorophenoxy)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)propanamide
SMILESCCc1c(C)sc(NC(=O)C(C)Oc2cccc(Cl)c2)c1C#N
InChIInChI=1S/C17H17ClN2O2S/c1-4-14-11(3)23-17(15(14)9-19)20-16(21)10(2)22-13-7-5-6-12(18)8-13/h5-8,10H,4H2,1-3H3,(H,20,21)
InChIKeyXWPQDGJIVGEFNV-UHFFFAOYSA-N
MW348.86 g/mol
LogP4.55
Rot. Bonds5

About 2-(3-chlorophenoxy)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)propanamide

2-(3-chlorophenoxy)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)propanamide (PubChem CID 3321179) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)propanamide
PubChem CID3321179
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC Name2-(3-chlorophenoxy)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)propanamide
SMILESCCc1c(C)sc(NC(=O)C(C)Oc2cccc(Cl)c2)c1C#N
InChIInChI=1S/C17H17ClN2O2S/c1-4-14-11(3)23-17(15(14)9-19)20-16(21)10(2)22-13-7-5-6-12(18)8-13/h5-8,10H,4H2,1-3H3,(H,20,21)
InChIKeyXWPQDGJIVGEFNV-UHFFFAOYSA-N
XLogP4.55
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 54.55
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-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenoxyacetamide
CID 775619
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-methylphenoxy)acetamide
CID 958574
N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-phenoxyacetamide
CID 1246602
N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-(2-methylphenoxy)acetamide
CID 1420660
2-(2-chloro-5-methylphenoxy)-N-(3-cyano-4,5-dimethyl-2-thienyl)acetamide
CID 2225455
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenoxyacetamide
CID 871259
N-(3-Cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-o-tolyloxy-acetamide
CID 1720947
N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-phenoxyacetamide
CID 1149347
N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-(4-methylphenoxy)acetamide
CID 1149349
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
N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-YL)-2-(2-methylphenoxy)acetamide
CID 759817

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)propanamide (CID 3321179) is 2-(3-chlorophenoxy)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)propanamide is CCc1c(C)sc(NC(=O)C(C)Oc2cccc(Cl)c2)c1C#N.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)propanamide?
The InChIKey is XWPQDGJIVGEFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c1-4-14-11(3)23-17(15(14)9-19)20-16(21)10(2)22-13-7-5-6-12(18)8-13/h5-8,10H,4H2,1-3H3,(H,20,21).
What are the key properties of 2-(3-chlorophenoxy)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)propanamide?
2-(3-chlorophenoxy)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)propanamide has a molecular weight of 348.86 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)propanamide is sourced from PubChem (CID 3321179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).