[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate

C16H15Cl2NO3S — CID 2502686

IUPAC[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C16H15Cl2NO3S/c1-10-2-5-14(23-10)16(21)22-9-15(20)19-7-6-11-3-4-12(17)8-13(11)18/h2-5,8H,6-7,9H2,1H3,(H,19,20)
InChIKeyMLCHIJKRHKANTC-UHFFFAOYSA-N
MW372.27 g/mol
LogP3.88
Rot. Bonds6

About [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate

[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate (PubChem CID 2502686) has the molecular formula C16H15Cl2NO3S and a molecular weight of 372.27 g/mol. Its IUPAC name is [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
PubChem CID2502686
Molecular FormulaC16H15Cl2NO3S
Molecular Weight372.27 g/mol
Exact Mass371.01
IUPAC Name[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C16H15Cl2NO3S/c1-10-2-5-14(23-10)16(21)22-9-15(20)19-7-6-11-3-4-12(17)8-13(11)18/h2-5,8H,6-7,9H2,1H3,(H,19,20)
InChIKeyMLCHIJKRHKANTC-UHFFFAOYSA-N
XLogP3.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 8510859
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2,6-difluorobenzoate
CID 2515179
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 2436140
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate
CID 2617983
[2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 9009190
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 3944750
4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutanoic acid
CID 9151806
N-[2-(2,4-dichlorophenyl)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 110388742
ethyl 2-[2-(2,4-dichlorophenyl)ethylamino]acetate
CID 28578934
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
5-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpentanamide
CID 82017216
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18123082

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The IUPAC name of [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate (CID 2502686) is [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The canonical SMILES for [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate is Cc1ccc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2Cl)s1.
What is the InChIKey of [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The InChIKey is MLCHIJKRHKANTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO3S/c1-10-2-5-14(23-10)16(21)22-9-15(20)19-7-6-11-3-4-12(17)8-13(11)18/h2-5,8H,6-7,9H2,1H3,(H,19,20).
What are the key properties of [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate?
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate has a molecular weight of 372.27 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 2502686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).