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

C19H15Cl2NO2S — CID 57287670

IUPACbenzyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate
SMILESO=C(Cc1cscc1Nc1c(Cl)cccc1Cl)OCc1ccccc1
InChIInChI=1S/C19H15Cl2NO2S/c20-15-7-4-8-16(21)19(15)22-17-12-25-11-14(17)9-18(23)24-10-13-5-2-1-3-6-13/h1-8,11-12,22H,9-10H2
InChIKeyJYADZDKHJPTGCX-UHFFFAOYSA-N
MW392.31 g/mol
LogP6.08
Rot. Bonds6

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

benzyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate (PubChem CID 57287670) has the molecular formula C19H15Cl2NO2S and a molecular weight of 392.31 g/mol. Its IUPAC name is benzyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate
PubChem CID57287670
Molecular FormulaC19H15Cl2NO2S
Molecular Weight392.31 g/mol
Exact Mass391.02
IUPAC Namebenzyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate
SMILESO=C(Cc1cscc1Nc1c(Cl)cccc1Cl)OCc1ccccc1
InChIInChI=1S/C19H15Cl2NO2S/c20-15-7-4-8-16(21)19(15)22-17-12-25-11-14(17)9-18(23)24-10-13-5-2-1-3-6-13/h1-8,11-12,22H,9-10H2
InChIKeyJYADZDKHJPTGCX-UHFFFAOYSA-N
XLogP6.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.31
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetamide
CID 23457236
2-(2-hydroxyethoxy)ethyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate
CID 54173996
1-[4-(2,6-dichloroanilino)thiophen-3-yl]propan-2-one
CID 20759454
2-[4-(2-chloroanilino)thiophen-3-yl]acetic acid
CID 23457189
[3-(1,3-dihydroxy-1,3-dihydroisoindol-2-yl)phenyl]methyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 66730174
2-[2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetyl]oxyacetyl]oxyacetic acid
CID 57369464
2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 59981465
dibenzyl (2S)-2-[N-acetyl-2-(2,6-dichloroanilino)anilino]pentanedioate
CID 150050090
(2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 46783545
2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetonitrile
CID 169438171
[3-[1,4,4-tris[3-[[2-(2-chlorophenyl)acetyl]oxymethyl]phenyl]butyl]phenyl]methyl 2-(2-chlorophenyl)acetate
CID 87352521
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate?
The IUPAC name of benzyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate (CID 57287670) is benzyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate.
What is the SMILES notation for benzyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate?
The canonical SMILES for benzyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate is O=C(Cc1cscc1Nc1c(Cl)cccc1Cl)OCc1ccccc1.
What is the InChIKey of benzyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate?
The InChIKey is JYADZDKHJPTGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO2S/c20-15-7-4-8-16(21)19(15)22-17-12-25-11-14(17)9-18(23)24-10-13-5-2-1-3-6-13/h1-8,11-12,22H,9-10H2.
What are the key properties of benzyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate?
benzyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate has a molecular weight of 392.31 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate is sourced from PubChem (CID 57287670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).