[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate

C15H14ClNO3S — CID 4802971

IUPAC[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESCc1c(Cl)cccc1NC(=O)COC(=O)Cc1ccsc1
InChIInChI=1S/C15H14ClNO3S/c1-10-12(16)3-2-4-13(10)17-14(18)8-20-15(19)7-11-5-6-21-9-11/h2-6,9H,7-8H2,1H3,(H,17,18)
InChIKeyDXHPLYBHVJQHTL-UHFFFAOYSA-N
MW323.80 g/mol
LogP3.43
Rot. Bonds5

About [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate

[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate (PubChem CID 4802971) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
PubChem CID4802971
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESCc1c(Cl)cccc1NC(=O)COC(=O)Cc1ccsc1
InChIInChI=1S/C15H14ClNO3S/c1-10-12(16)3-2-4-13(10)17-14(18)8-20-15(19)7-11-5-6-21-9-11/h2-6,9H,7-8H2,1H3,(H,17,18)
InChIKeyDXHPLYBHVJQHTL-UHFFFAOYSA-N
XLogP3.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-Chlorophenyl)amino]-2-oxoethyl thiophen-3-ylacetate
CID 2078588
2-[(2-Chlorophenyl)amino]-2-oxoethyl thiophen-3-ylacetate
CID 2337009
[2-(3-Chloroanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 1679565
2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl thiophen-3-ylacetate
CID 2091944
[2-(2-Methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2336809
[2-(2,6-Diethylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2338102
2-Oxo-2-(phenylamino)ethyl thiophen-3-ylacetate
CID 2338161
2-Oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl thiophen-3-ylacetate
CID 2354782
[2-[4-Chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 4544371
N-(3-chloro-2-methylphenyl)-2-(2-thienyl)acetamide
CID 836206
2-[(3-Fluorophenyl)amino]-2-oxoethyl thiophen-3-ylacetate
CID 2082796
[2-(2-Methylsulfanylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2355399

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate (CID 4802971) is [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate is Cc1c(Cl)cccc1NC(=O)COC(=O)Cc1ccsc1.
What is the InChIKey of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The InChIKey is DXHPLYBHVJQHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-10-12(16)3-2-4-13(10)17-14(18)8-20-15(19)7-11-5-6-21-9-11/h2-6,9H,7-8H2,1H3,(H,17,18).
What are the key properties of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate has a molecular weight of 323.80 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 4802971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).