methyl 2-[5-[(2-chloro-5-methoxyanilino)methyl]thiophen-2-yl]acetate

C15H16ClNO3S — CID 82887614

IUPACmethyl 2-[5-[(2-chloro-5-methoxyanilino)methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CNc2cc(OC)ccc2Cl)s1
InChIInChI=1S/C15H16ClNO3S/c1-19-10-3-6-13(16)14(7-10)17-9-12-5-4-11(21-12)8-15(18)20-2/h3-7,17H,8-9H2,1-2H3
InChIKeyHJPZTFPKGAHENQ-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.74
Rot. Bonds6

About methyl 2-[5-[(2-chloro-5-methoxyanilino)methyl]thiophen-2-yl]acetate

methyl 2-[5-[(2-chloro-5-methoxyanilino)methyl]thiophen-2-yl]acetate (PubChem CID 82887614) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is methyl 2-[5-[(2-chloro-5-methoxyanilino)methyl]thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[(2-chloro-5-methoxyanilino)methyl]thiophen-2-yl]acetate
PubChem CID82887614
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Namemethyl 2-[5-[(2-chloro-5-methoxyanilino)methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CNc2cc(OC)ccc2Cl)s1
InChIInChI=1S/C15H16ClNO3S/c1-19-10-3-6-13(16)14(7-10)17-9-12-5-4-11(21-12)8-15(18)20-2/h3-7,17H,8-9H2,1-2H3
InChIKeyHJPZTFPKGAHENQ-UHFFFAOYSA-N
XLogP3.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[5-[(2-chloro-5-methoxyanilino)methyl]thiophen-2-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

methyl 2-[5-[(3,4-dichloroanilino)methyl]thiophen-2-yl]acetate
CID 82894984
methyl 2-[5-[[(4-chloro-3-pyridinyl)amino]methyl]thiophen-2-yl]acetate
CID 83165921
methyl 2-[5-[(2-chloro-4-iodoanilino)methyl]thiophen-2-yl]acetate
CID 82894492
2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxyaniline
CID 168583076
methyl 2-[5-[(4-chloro-2-fluoroanilino)methyl]thiophen-2-yl]acetate
CID 82894934
methyl 2-[5-[(4-bromo-2,6-dichloroanilino)methyl]thiophen-2-yl]acetate
CID 82886699
methyl 2-[5-[[(2-chloro-3-pyridinyl)amino]methyl]thiophen-2-yl]acetate
CID 82894273
methyl 2-[5-[(5-bromo-2-methoxyanilino)methyl]thiophen-2-yl]acetate
CID 82887609
3-[(2-chloro-5-methoxyanilino)methyl]furan-2-carboxylic acid
CID 103243582
methyl 2-[5-[(2-fluoroanilino)methyl]thiophen-2-yl]acetate
CID 82894694
methyl 2-[5-[(2,3,5-trifluoroanilino)methyl]thiophen-2-yl]acetate
CID 82887799
2-[[5-(2-methoxy-2-oxoethyl)thiophen-2-yl]methylamino]benzoic acid
CID 82886705

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[(2-chloro-5-methoxyanilino)methyl]thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-[(2-chloro-5-methoxyanilino)methyl]thiophen-2-yl]acetate (CID 82887614) is methyl 2-[5-[(2-chloro-5-methoxyanilino)methyl]thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[(2-chloro-5-methoxyanilino)methyl]thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[(2-chloro-5-methoxyanilino)methyl]thiophen-2-yl]acetate is COC(=O)Cc1ccc(CNc2cc(OC)ccc2Cl)s1.
What is the InChIKey of methyl 2-[5-[(2-chloro-5-methoxyanilino)methyl]thiophen-2-yl]acetate?
The InChIKey is HJPZTFPKGAHENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-19-10-3-6-13(16)14(7-10)17-9-12-5-4-11(21-12)8-15(18)20-2/h3-7,17H,8-9H2,1-2H3.
What are the key properties of methyl 2-[5-[(2-chloro-5-methoxyanilino)methyl]thiophen-2-yl]acetate?
methyl 2-[5-[(2-chloro-5-methoxyanilino)methyl]thiophen-2-yl]acetate has a molecular weight of 325.82 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[(2-chloro-5-methoxyanilino)methyl]thiophen-2-yl]acetate is sourced from PubChem (CID 82887614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).