1-[4-(2,6-dichloroanilino)thiophen-3-yl]propan-2-one

C13H11Cl2NOS — CID 20759454

IUPAC1-[4-(2,6-dichloroanilino)thiophen-3-yl]propan-2-one
SMILESCC(=O)Cc1cscc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H11Cl2NOS/c1-8(17)5-9-6-18-7-12(9)16-13-10(14)3-2-4-11(13)15/h2-4,6-7,16H,5H2,1H3
InChIKeyWLPCEIHSSKFUNS-UHFFFAOYSA-N
MW300.21 g/mol
LogP4.93
Rot. Bonds4

About 1-[4-(2,6-dichloroanilino)thiophen-3-yl]propan-2-one

1-[4-(2,6-dichloroanilino)thiophen-3-yl]propan-2-one (PubChem CID 20759454) has the molecular formula C13H11Cl2NOS and a molecular weight of 300.21 g/mol. Its IUPAC name is 1-[4-(2,6-dichloroanilino)thiophen-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-(2,6-dichloroanilino)thiophen-3-yl]propan-2-one
PubChem CID20759454
Molecular FormulaC13H11Cl2NOS
Molecular Weight300.21 g/mol
Exact Mass298.99
IUPAC Name1-[4-(2,6-dichloroanilino)thiophen-3-yl]propan-2-one
SMILESCC(=O)Cc1cscc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H11Cl2NOS/c1-8(17)5-9-6-18-7-12(9)16-13-10(14)3-2-4-11(13)15/h2-4,6-7,16H,5H2,1H3
InChIKeyWLPCEIHSSKFUNS-UHFFFAOYSA-N
XLogP4.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetamide
CID 23457236
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
1-[2-(tert-butylamino)-3-chlorophenyl]propan-2-one
CID 174836838
ethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate
CID 80568594
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
2-[2-(2,6-dichloroanilino)-6-methylphenyl]acetic acid
CID 142968081
strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride
CID 173032882
2-[2-(2,6-dichloroanilino)phenyl]acetate;tris(hydroxymethyl)-methylazanium
CID 15917937
1-(2-bromo-3-chlorophenyl)propan-2-one
CID 83724712

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dichloroanilino)thiophen-3-yl]propan-2-one?
The IUPAC name of 1-[4-(2,6-dichloroanilino)thiophen-3-yl]propan-2-one (CID 20759454) is 1-[4-(2,6-dichloroanilino)thiophen-3-yl]propan-2-one.
What is the SMILES notation for 1-[4-(2,6-dichloroanilino)thiophen-3-yl]propan-2-one?
The canonical SMILES for 1-[4-(2,6-dichloroanilino)thiophen-3-yl]propan-2-one is CC(=O)Cc1cscc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[4-(2,6-dichloroanilino)thiophen-3-yl]propan-2-one?
The InChIKey is WLPCEIHSSKFUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NOS/c1-8(17)5-9-6-18-7-12(9)16-13-10(14)3-2-4-11(13)15/h2-4,6-7,16H,5H2,1H3.
What are the key properties of 1-[4-(2,6-dichloroanilino)thiophen-3-yl]propan-2-one?
1-[4-(2,6-dichloroanilino)thiophen-3-yl]propan-2-one has a molecular weight of 300.21 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dichloroanilino)thiophen-3-yl]propan-2-one is sourced from PubChem (CID 20759454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).