2-[4-(2-chloroanilino)thiophen-3-yl]acetic acid

C12H10ClNO2S — CID 23457189

IUPAC2-[4-(2-chloroanilino)thiophen-3-yl]acetic acid
SMILESO=C(O)Cc1cscc1Nc1ccccc1Cl
InChIInChI=1S/C12H10ClNO2S/c13-9-3-1-2-4-10(9)14-11-7-17-6-8(11)5-12(15)16/h1-4,6-7,14H,5H2,(H,15,16)
InChIKeyMXIGZEQTXWPAQM-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.77
Rot. Bonds4

About 2-[4-(2-chloroanilino)thiophen-3-yl]acetic acid

2-[4-(2-chloroanilino)thiophen-3-yl]acetic acid (PubChem CID 23457189) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is 2-[4-(2-chloroanilino)thiophen-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-chloroanilino)thiophen-3-yl]acetic acid
PubChem CID23457189
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Name2-[4-(2-chloroanilino)thiophen-3-yl]acetic acid
SMILESO=C(O)Cc1cscc1Nc1ccccc1Cl
InChIInChI=1S/C12H10ClNO2S/c13-9-3-1-2-4-10(9)14-11-7-17-6-8(11)5-12(15)16/h1-4,6-7,14H,5H2,(H,15,16)
InChIKeyMXIGZEQTXWPAQM-UHFFFAOYSA-N
XLogP3.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetamide
CID 23457236
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-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride
CID 173032882
1-[4-(2-chloroanilino)phenyl]-3-phenylurea
CID 112986938
2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetonitrile
CID 169438171
sodium;2-(2-chlorophenyl)acetic acid;hydride
CID 174699179
2-(2-hydroxyethoxy)ethyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate
CID 54173996
2-[2-[1-(2-chloroanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetic acid
CID 16642297
2-[2-(3,4,5-trichloroanilino)phenyl]acetic acid
CID 18546366
[3-chloro-4-(2-chloroanilino)phenyl]-phenylmethanone
CID 14243390

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloroanilino)thiophen-3-yl]acetic acid?
The IUPAC name of 2-[4-(2-chloroanilino)thiophen-3-yl]acetic acid (CID 23457189) is 2-[4-(2-chloroanilino)thiophen-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-chloroanilino)thiophen-3-yl]acetic acid?
The canonical SMILES for 2-[4-(2-chloroanilino)thiophen-3-yl]acetic acid is O=C(O)Cc1cscc1Nc1ccccc1Cl.
What is the InChIKey of 2-[4-(2-chloroanilino)thiophen-3-yl]acetic acid?
The InChIKey is MXIGZEQTXWPAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c13-9-3-1-2-4-10(9)14-11-7-17-6-8(11)5-12(15)16/h1-4,6-7,14H,5H2,(H,15,16).
What are the key properties of 2-[4-(2-chloroanilino)thiophen-3-yl]acetic acid?
2-[4-(2-chloroanilino)thiophen-3-yl]acetic acid has a molecular weight of 267.74 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloroanilino)thiophen-3-yl]acetic acid is sourced from PubChem (CID 23457189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).