2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carboxamide

C20H15Cl3N2O3S — CID 4531454

IUPAC2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)COc2ccccc2Cl)c(C(N)=O)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H15Cl3N2O3S/c1-10-17(12-7-6-11(21)8-14(12)23)18(19(24)27)20(29-10)25-16(26)9-28-15-5-3-2-4-13(15)22/h2-8H,9H2,1H3,(H2,24,27)(H,25,26)
InChIKeyUNRIOVSWOIOIKE-UHFFFAOYSA-N
MW469.78 g/mol
LogP5.80
Rot. Bonds6

About 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carboxamide

2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carboxamide (PubChem CID 4531454) has the molecular formula C20H15Cl3N2O3S and a molecular weight of 469.78 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carboxamide
PubChem CID4531454
Molecular FormulaC20H15Cl3N2O3S
Molecular Weight469.78 g/mol
Exact Mass467.99
IUPAC Name2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)COc2ccccc2Cl)c(C(N)=O)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H15Cl3N2O3S/c1-10-17(12-7-6-11(21)8-14(12)23)18(19(24)27)20(29-10)25-16(26)9-28-15-5-3-2-4-13(15)22/h2-8H,9H2,1H3,(H2,24,27)(H,25,26)
InChIKeyUNRIOVSWOIOIKE-UHFFFAOYSA-N
XLogP5.80
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.78
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(2,4-dichlorophenyl)thiophene-3-carboxamide
CID 995676
2-[[2-(2-chlorophenoxy)acetyl]amino]-4-phenylthiophene-3-carboxamide
CID 4135786
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenoxy)acetamide
CID 870474
2-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 4960663
ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate
CID 1038982
ethyl 5-[[2-(2-chlorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate
CID 2670401
methyl 5-[(2-chlorophenyl)carbamoyl]-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-methylthiophene-3-carboxylate
CID 3141663
2-(2-chlorophenoxy)-N-(3-chlorophenyl)acetamide
CID 707250
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2378568
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 969209
ethyl 4-(benzylcarbamoyl)-5-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate
CID 126116200

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carboxamide (CID 4531454) is 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carboxamide is Cc1sc(NC(=O)COc2ccccc2Cl)c(C(N)=O)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carboxamide?
The InChIKey is UNRIOVSWOIOIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl3N2O3S/c1-10-17(12-7-6-11(21)8-14(12)23)18(19(24)27)20(29-10)25-16(26)9-28-15-5-3-2-4-13(15)22/h2-8H,9H2,1H3,(H2,24,27)(H,25,26).
What are the key properties of 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carboxamide?
2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carboxamide has a molecular weight of 469.78 g/mol, XLogP of 5.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 4531454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).