dimethyl 5-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylthiophene-2,4-dicarboxylate

C18H17Cl2NO6S — CID 3625015

IUPACdimethyl 5-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylthiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)c(C(=O)OC)c1C
InChIInChI=1S/C18H17Cl2NO6S/c1-8-13(17(23)25-3)16(28-14(8)18(24)26-4)21-15(22)9(2)27-12-6-5-10(19)7-11(12)20/h5-7,9H,1-4H3,(H,21,22)
InChIKeyAWDRJWCBAYFKKT-UHFFFAOYSA-N
MW446.31 g/mol
LogP4.34
Rot. Bonds6

About dimethyl 5-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylthiophene-2,4-dicarboxylate

dimethyl 5-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylthiophene-2,4-dicarboxylate (PubChem CID 3625015) has the molecular formula C18H17Cl2NO6S and a molecular weight of 446.31 g/mol. Its IUPAC name is dimethyl 5-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylthiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylthiophene-2,4-dicarboxylate
PubChem CID3625015
Molecular FormulaC18H17Cl2NO6S
Molecular Weight446.31 g/mol
Exact Mass445.02
IUPAC Namedimethyl 5-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylthiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)c(C(=O)OC)c1C
InChIInChI=1S/C18H17Cl2NO6S/c1-8-13(17(23)25-3)16(28-14(8)18(24)26-4)21-15(22)9(2)27-12-6-5-10(19)7-11(12)20/h5-7,9H,1-4H3,(H,21,22)
InChIKeyAWDRJWCBAYFKKT-UHFFFAOYSA-N
XLogP4.34
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.31
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze dimethyl 5-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylthiophene-2,4-dicarboxylate with MolForge

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Related Compounds

methyl 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7289997
diethyl 5-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylthiophene-2,4-dicarboxylate
CID 2787716
dipropan-2-yl 5-[2-(4-chloro-2-methylphenoxy)propanoylamino]-3-methylthiophene-2,4-dicarboxylate
CID 4144832
methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 3744339
ethyl 5-carbamoyl-2-[[(2R)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]-4-methylthiophene-3-carboxylate
CID 1294689
ethyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 4248539
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 100647396
2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 119033150
methyl 4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoate
CID 1010111
methyl 4-cyano-5-[2-(2,4-dichlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate
CID 108733889
ethyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-1-benzothiophene-3-carboxylate
CID 5128620
methyl 3-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methylbenzoate
CID 2122611

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylthiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl 5-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylthiophene-2,4-dicarboxylate (CID 3625015) is dimethyl 5-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylthiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 5-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylthiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 5-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylthiophene-2,4-dicarboxylate is COC(=O)c1sc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)c(C(=O)OC)c1C.
What is the InChIKey of dimethyl 5-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylthiophene-2,4-dicarboxylate?
The InChIKey is AWDRJWCBAYFKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO6S/c1-8-13(17(23)25-3)16(28-14(8)18(24)26-4)21-15(22)9(2)27-12-6-5-10(19)7-11(12)20/h5-7,9H,1-4H3,(H,21,22).
What are the key properties of dimethyl 5-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylthiophene-2,4-dicarboxylate?
dimethyl 5-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylthiophene-2,4-dicarboxylate has a molecular weight of 446.31 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylthiophene-2,4-dicarboxylate is sourced from PubChem (CID 3625015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).