methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate

C16H16ClNO4S — CID 1219699

IUPACmethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc(C)c1C
InChIInChI=1S/C16H16ClNO4S/c1-9-10(2)23-15(14(9)16(20)21-3)18-13(19)8-22-12-6-4-11(17)5-7-12/h4-7H,8H2,1-3H3,(H,18,19)
InChIKeySRXDLYJKSRQSSW-UHFFFAOYSA-N
MW353.83 g/mol
LogP3.82
Rot. Bonds5

About methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate

methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 1219699) has the molecular formula C16H16ClNO4S and a molecular weight of 353.83 g/mol. Its IUPAC name is methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID1219699
Molecular FormulaC16H16ClNO4S
Molecular Weight353.83 g/mol
Exact Mass353.05
IUPAC Namemethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc(C)c1C
InChIInChI=1S/C16H16ClNO4S/c1-9-10(2)23-15(14(9)16(20)21-3)18-13(19)8-22-12-6-4-11(17)5-7-12/h4-7H,8H2,1-3H3,(H,18,19)
InChIKeySRXDLYJKSRQSSW-UHFFFAOYSA-N
XLogP3.82
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-{[(4-propylphenoxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 1743511
Methyl 2-[2-(4-chloro-3-methylphenoxy)propanoylamino]-4,5-dimethylthiophene-3-carboxylate
CID 4640583
Ethyl 2-{[2-(4-chloro-3-methylphenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 15991120
Methyl 2-{[(4-methoxyphenoxy)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2789232
4H-4,7-Ethanothieno(2,3-b)pyridine-3-carboxylic acid, 5,6-dihydro-2-(((4-chlorophenoxy)acetyl)amino)-, ethyl ester
CID 978362
Ethyl 5-ethyl-2-{[(2-methylphenoxy)acetyl]amino}-3-thiophenecarboxylate
CID 776596
Ethyl 2-{[(2-isopropyl-5-methylphenoxy)acetyl]amino}-4,5-dimethyl-3-thiophenecarboxylate
CID 978678
Methyl 2-{[(4-isopropylphenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 1051175
Ethyl 5-acetyl-4-methyl-2-(2-phenoxyacetamido)thiophene-3-carboxylate
CID 1105822
2-{[(4-chlorophenoxy)acetyl]amino}-N-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 1821611
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 2483500
2-{[2-(4-chlorophenoxy)propanoyl]amino}-N-(2-ethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 3850246

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate (CID 1219699) is methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate is COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc(C)c1C.
What is the InChIKey of methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is SRXDLYJKSRQSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4S/c1-9-10(2)23-15(14(9)16(20)21-3)18-13(19)8-22-12-6-4-11(17)5-7-12/h4-7H,8H2,1-3H3,(H,18,19).
What are the key properties of methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 353.83 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 1219699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).