2-(2,4-dichlorophenoxy)-N-[thiophen-2-yl(thiophen-3-yl)methyl]acetamide

C17H13Cl2NO2S2 — CID 121021409

IUPAC2-(2,4-dichlorophenoxy)-N-[thiophen-2-yl(thiophen-3-yl)methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NC(c1ccsc1)c1cccs1
InChIInChI=1S/C17H13Cl2NO2S2/c18-12-3-4-14(13(19)8-12)22-9-16(21)20-17(11-5-7-23-10-11)15-2-1-6-24-15/h1-8,10,17H,9H2,(H,20,21)
InChIKeyRZRVMYQRUVYFHH-UHFFFAOYSA-N
MW398.34 g/mol
LogP5.40
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-[thiophen-2-yl(thiophen-3-yl)methyl]acetamide

2-(2,4-dichlorophenoxy)-N-[thiophen-2-yl(thiophen-3-yl)methyl]acetamide (PubChem CID 121021409) has the molecular formula C17H13Cl2NO2S2 and a molecular weight of 398.34 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[thiophen-2-yl(thiophen-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[thiophen-2-yl(thiophen-3-yl)methyl]acetamide
PubChem CID121021409
Molecular FormulaC17H13Cl2NO2S2
Molecular Weight398.34 g/mol
Exact Mass396.98
IUPAC Name2-(2,4-dichlorophenoxy)-N-[thiophen-2-yl(thiophen-3-yl)methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NC(c1ccsc1)c1cccs1
InChIInChI=1S/C17H13Cl2NO2S2/c18-12-3-4-14(13(19)8-12)22-9-16(21)20-17(11-5-7-23-10-11)15-2-1-6-24-15/h1-8,10,17H,9H2,(H,20,21)
InChIKeyRZRVMYQRUVYFHH-UHFFFAOYSA-N
XLogP5.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.34
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenoxy)-N-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]acetamide
CID 129355138
2-(2-chloro-4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8978027
5-chloro-2-methoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 129354714
3-(3-chlorophenyl)-N-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]propanamide
CID 129354627
3-(3-chlorophenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]propanamide
CID 119104237
2-(2-fluorophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 9011592
2-(2,4-dichlorophenoxy)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide
CID 73167871
N-[(1S)-1-thiophen-2-ylethyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7918061
2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide
CID 129417977
2-(2-ethoxyphenoxy)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853848
2-(2-ethoxyphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853842
2-phenoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8820676

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[thiophen-2-yl(thiophen-3-yl)methyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[thiophen-2-yl(thiophen-3-yl)methyl]acetamide (CID 121021409) is 2-(2,4-dichlorophenoxy)-N-[thiophen-2-yl(thiophen-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[thiophen-2-yl(thiophen-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[thiophen-2-yl(thiophen-3-yl)methyl]acetamide is O=C(COc1ccc(Cl)cc1Cl)NC(c1ccsc1)c1cccs1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[thiophen-2-yl(thiophen-3-yl)methyl]acetamide?
The InChIKey is RZRVMYQRUVYFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO2S2/c18-12-3-4-14(13(19)8-12)22-9-16(21)20-17(11-5-7-23-10-11)15-2-1-6-24-15/h1-8,10,17H,9H2,(H,20,21).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[thiophen-2-yl(thiophen-3-yl)methyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[thiophen-2-yl(thiophen-3-yl)methyl]acetamide has a molecular weight of 398.34 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[thiophen-2-yl(thiophen-3-yl)methyl]acetamide is sourced from PubChem (CID 121021409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).