2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetamide

C12H10Cl2N2OS — CID 23457236

IUPAC2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetamide
SMILESNC(=O)Cc1cscc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H10Cl2N2OS/c13-8-2-1-3-9(14)12(8)16-10-6-18-5-7(10)4-11(15)17/h1-3,5-6,16H,4H2,(H2,15,17)
InChIKeyAPMGTMYHBFRQLY-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.83
Rot. Bonds4

About 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetamide

2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetamide (PubChem CID 23457236) has the molecular formula C12H10Cl2N2OS and a molecular weight of 301.20 g/mol. Its IUPAC name is 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetamide
PubChem CID23457236
Molecular FormulaC12H10Cl2N2OS
Molecular Weight301.20 g/mol
Exact Mass299.99
IUPAC Name2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetamide
SMILESNC(=O)Cc1cscc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H10Cl2N2OS/c13-8-2-1-3-9(14)12(8)16-10-6-18-5-7(10)4-11(15)17/h1-3,5-6,16H,4H2,(H2,15,17)
InChIKeyAPMGTMYHBFRQLY-UHFFFAOYSA-N
XLogP3.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,6-dichloroanilino)thiophen-3-yl]propan-2-one
CID 20759454
benzyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate
CID 57287670
2-(2-hydroxyethoxy)ethyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate
CID 54173996
2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetonitrile
CID 169438171
2-[4-(2-chloroanilino)thiophen-3-yl]acetic acid
CID 23457189
4-aminobutanamide;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride
CID 70446369
ethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate
CID 80568594
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride
CID 173032882
2-(3-chloro-2-fluorophenyl)acetamide
CID 91291585
2,2-dideuterio-2-[2-(2,6-dichloroanilino)phenyl]acetic acid
CID 10661763
sodium 2-[3-(2,6-dichloroanilino)thiophen-2-yl]acetate
CID 23686411

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetamide?
The IUPAC name of 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetamide (CID 23457236) is 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetamide.
What is the SMILES notation for 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetamide?
The canonical SMILES for 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetamide is NC(=O)Cc1cscc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetamide?
The InChIKey is APMGTMYHBFRQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS/c13-8-2-1-3-9(14)12(8)16-10-6-18-5-7(10)4-11(15)17/h1-3,5-6,16H,4H2,(H2,15,17).
What are the key properties of 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetamide?
2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetamide has a molecular weight of 301.20 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetamide is sourced from PubChem (CID 23457236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).