5-acetyl-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide

C16H14Cl2N2O3S — CID 9091886

IUPAC5-acetyl-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C16H14Cl2N2O3S/c1-9(21)13-5-6-14(24-13)16(23)20(2)8-15(22)19-10-3-4-11(17)12(18)7-10/h3-7H,8H2,1-2H3,(H,19,22)
InChIKeyRDODPCTUWMBBLF-UHFFFAOYSA-N
MW385.27 g/mol
LogP3.97
Rot. Bonds5

About 5-acetyl-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide

5-acetyl-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 9091886) has the molecular formula C16H14Cl2N2O3S and a molecular weight of 385.27 g/mol. Its IUPAC name is 5-acetyl-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID9091886
Molecular FormulaC16H14Cl2N2O3S
Molecular Weight385.27 g/mol
Exact Mass384.01
IUPAC Name5-acetyl-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C16H14Cl2N2O3S/c1-9(21)13-5-6-14(24-13)16(23)20(2)8-15(22)19-10-3-4-11(17)12(18)7-10/h3-7H,8H2,1-2H3,(H,19,22)
InChIKeyRDODPCTUWMBBLF-UHFFFAOYSA-N
XLogP3.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2-dimethyl-1,3-thiazole-5-carboxamide
CID 47084300
5-acetyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9089320
5-acetyl-N-(3,4-dichlorophenyl)thiophene-2-carboxamide
CID 9071635
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 78771511
N-[5-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31305744
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
CID 31182814
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-iodo-N-methylbenzamide
CID 31182819
4-(carbamoylamino)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 30091289
5-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
CID 31182564
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 40604160
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-methylsulfonylbenzamide
CID 9418661

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 9091886) is 5-acetyl-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide is CC(=O)c1ccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)s1.
What is the InChIKey of 5-acetyl-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is RDODPCTUWMBBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3S/c1-9(21)13-5-6-14(24-13)16(23)20(2)8-15(22)19-10-3-4-11(17)12(18)7-10/h3-7H,8H2,1-2H3,(H,19,22).
What are the key properties of 5-acetyl-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
5-acetyl-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 385.27 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 9091886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).