2-[3-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]anilino]acetic acid

C15H16ClNO2S — CID 65057697

IUPAC2-[3-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]anilino]acetic acid
SMILESCc1ccc(C(C)N(CC(=O)O)c2cccc(Cl)c2)s1
InChIInChI=1S/C15H16ClNO2S/c1-10-6-7-14(20-10)11(2)17(9-15(18)19)13-5-3-4-12(16)8-13/h3-8,11H,9H2,1-2H3,(H,18,19)
InChIKeyWKBRUHAIBXGCNE-UHFFFAOYSA-N
MW309.82 g/mol
LogP4.36
Rot. Bonds5

About 2-[3-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]anilino]acetic acid

2-[3-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]anilino]acetic acid (PubChem CID 65057697) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-[3-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[3-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]anilino]acetic acid
PubChem CID65057697
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name2-[3-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]anilino]acetic acid
SMILESCc1ccc(C(C)N(CC(=O)O)c2cccc(Cl)c2)s1
InChIInChI=1S/C15H16ClNO2S/c1-10-6-7-14(20-10)11(2)17(9-15(18)19)13-5-3-4-12(16)8-13/h3-8,11H,9H2,1-2H3,(H,18,19)
InChIKeyWKBRUHAIBXGCNE-UHFFFAOYSA-N
XLogP4.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]anilino]acetic acid 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-[3-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]anilino]acetic acid
CID 65057847
2-[3-chloro-N-[1-(2-chlorophenyl)ethyl]anilino]acetic acid
CID 65057794
2-[3-chloro-N-(3-methylbutan-2-yl)anilino]acetic acid
CID 65058859
2-[3-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]anilino]acetic acid
CID 106758937
2-[3-chloro-N-(1-cyclopropylpropyl)anilino]acetic acid
CID 65057499
2-(N-[(2R)-2-aminopropanoyl]-3-chloroanilino)acetic acid
CID 54996152
3-[3-chloro-N-(1-phenylethyl)anilino]propanoic acid
CID 82318339
(2R)-2-(3-chloro-N-ethylanilino)propanoic acid
CID 124583979
2-[N-[1-(4-bromothiophen-2-yl)ethyl]-4-chloroanilino]acetic acid
CID 107355380
2-(3-chloro-N-[2-methyl-3-(methylamino)propanoyl]anilino)acetic acid
CID 79202960
2-(N-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-3-chloroanilino)acetic acid
CID 62793630
2-[3-chloro-N-[3-(dimethylamino)propyl]anilino]acetic acid
CID 114525879

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]anilino]acetic acid?
The IUPAC name of 2-[3-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]anilino]acetic acid (CID 65057697) is 2-[3-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]anilino]acetic acid.
What is the SMILES notation for 2-[3-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]anilino]acetic acid?
The canonical SMILES for 2-[3-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]anilino]acetic acid is Cc1ccc(C(C)N(CC(=O)O)c2cccc(Cl)c2)s1.
What is the InChIKey of 2-[3-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]anilino]acetic acid?
The InChIKey is WKBRUHAIBXGCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-10-6-7-14(20-10)11(2)17(9-15(18)19)13-5-3-4-12(16)8-13/h3-8,11H,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[3-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]anilino]acetic acid?
2-[3-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]anilino]acetic acid has a molecular weight of 309.82 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]anilino]acetic acid is sourced from PubChem (CID 65057697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).