2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide

C16H16Cl2N2O3S — CID 1001100

IUPAC2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)COc2ccc(Cl)cc2Cl)c1C(N)=O
InChIInChI=1S/C16H16Cl2N2O3S/c1-3-10-8(2)24-16(14(10)15(19)22)20-13(21)7-23-12-5-4-9(17)6-11(12)18/h4-6H,3,7H2,1-2H3,(H2,19,22)(H,20,21)
InChIKeyWAHDSTNDWYVIFM-UHFFFAOYSA-N
MW387.29 g/mol
LogP4.04
Rot. Bonds6

About 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide

2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide (PubChem CID 1001100) has the molecular formula C16H16Cl2N2O3S and a molecular weight of 387.29 g/mol. Its IUPAC name is 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide
PubChem CID1001100
Molecular FormulaC16H16Cl2N2O3S
Molecular Weight387.29 g/mol
Exact Mass386.03
IUPAC Name2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)COc2ccc(Cl)cc2Cl)c1C(N)=O
InChIInChI=1S/C16H16Cl2N2O3S/c1-3-10-8(2)24-16(14(10)15(19)22)20-13(21)7-23-12-5-4-9(17)6-11(12)18/h4-6H,3,7H2,1-2H3,(H2,19,22)(H,20,21)
InChIKeyWAHDSTNDWYVIFM-UHFFFAOYSA-N
XLogP4.04
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide (CID 1001100) is 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide is CCc1c(C)sc(NC(=O)COc2ccc(Cl)cc2Cl)c1C(N)=O.
What is the InChIKey of 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide?
The InChIKey is WAHDSTNDWYVIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S/c1-3-10-8(2)24-16(14(10)15(19)22)20-13(21)7-23-12-5-4-9(17)6-11(12)18/h4-6H,3,7H2,1-2H3,(H2,19,22)(H,20,21).
What are the key properties of 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide?
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide has a molecular weight of 387.29 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 1001100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).