methyl 2-(4-chloroanilino)-2-(5-methylthiophen-2-yl)acetate

C14H14ClNO2S — CID 61347171

IUPACmethyl 2-(4-chloroanilino)-2-(5-methylthiophen-2-yl)acetate
SMILESCOC(=O)C(Nc1ccc(Cl)cc1)c1ccc(C)s1
InChIInChI=1S/C14H14ClNO2S/c1-9-3-8-12(19-9)13(14(17)18-2)16-11-6-4-10(15)5-7-11/h3-8,13,16H,1-2H3
InChIKeySZEWMKLPBRUBEU-UHFFFAOYSA-N
MW295.79 g/mol
LogP4.04
Rot. Bonds4

About methyl 2-(4-chloroanilino)-2-(5-methylthiophen-2-yl)acetate

methyl 2-(4-chloroanilino)-2-(5-methylthiophen-2-yl)acetate (PubChem CID 61347171) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is methyl 2-(4-chloroanilino)-2-(5-methylthiophen-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-chloroanilino)-2-(5-methylthiophen-2-yl)acetate
PubChem CID61347171
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Namemethyl 2-(4-chloroanilino)-2-(5-methylthiophen-2-yl)acetate
SMILESCOC(=O)C(Nc1ccc(Cl)cc1)c1ccc(C)s1
InChIInChI=1S/C14H14ClNO2S/c1-9-3-8-12(19-9)13(14(17)18-2)16-11-6-4-10(15)5-7-11/h3-8,13,16H,1-2H3
InChIKeySZEWMKLPBRUBEU-UHFFFAOYSA-N
XLogP4.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloroanilino)-2-(5-methylthiophen-2-yl)acetic acid
CID 61346975
methyl (2S)-2-(4-chloroanilino)propanoate
CID 18442844
2-(4-chloroanilino)-2-(5-ethylthiophen-2-yl)acetic acid
CID 55062316
2-(4-bromo-5-methylthiophen-2-yl)-2-(4-chloroanilino)acetamide
CID 102840307
methyl 2-(5-bromo-2-fluorophenyl)-2-(4-chloroanilino)acetate
CID 60994342
methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-fluoroanilino)acetate
CID 102840732
methyl 2-anilino-2-(4-bromo-5-chlorothiophen-2-yl)acetate
CID 102840677
dimethyl 2-[(R)-(4-chloroanilino)-phenylmethyl]propanedioate
CID 804005
2-(5-methylthiophen-2-yl)-2-(propan-2-ylamino)acetamide
CID 61347357
ethyl (2S)-2-(4-chlorophenyl)-2-(4-methoxyanilino)acetate
CID 134946729
methyl 2-(4-chloroanilino)-3-methylpentanoate
CID 61319355
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
CID 2502856

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chloroanilino)-2-(5-methylthiophen-2-yl)acetate?
The IUPAC name of methyl 2-(4-chloroanilino)-2-(5-methylthiophen-2-yl)acetate (CID 61347171) is methyl 2-(4-chloroanilino)-2-(5-methylthiophen-2-yl)acetate.
What is the SMILES notation for methyl 2-(4-chloroanilino)-2-(5-methylthiophen-2-yl)acetate?
The canonical SMILES for methyl 2-(4-chloroanilino)-2-(5-methylthiophen-2-yl)acetate is COC(=O)C(Nc1ccc(Cl)cc1)c1ccc(C)s1.
What is the InChIKey of methyl 2-(4-chloroanilino)-2-(5-methylthiophen-2-yl)acetate?
The InChIKey is SZEWMKLPBRUBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-9-3-8-12(19-9)13(14(17)18-2)16-11-6-4-10(15)5-7-11/h3-8,13,16H,1-2H3.
What are the key properties of methyl 2-(4-chloroanilino)-2-(5-methylthiophen-2-yl)acetate?
methyl 2-(4-chloroanilino)-2-(5-methylthiophen-2-yl)acetate has a molecular weight of 295.79 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chloroanilino)-2-(5-methylthiophen-2-yl)acetate is sourced from PubChem (CID 61347171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).