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

C19H13Cl3N2O3S — CID 995676

IUPAC2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(2,4-dichlorophenyl)thiophene-3-carboxamide
SMILESNC(=O)c1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)COc1ccccc1Cl
InChIInChI=1S/C19H13Cl3N2O3S/c20-10-5-6-11(14(22)7-10)12-9-28-19(17(12)18(23)26)24-16(25)8-27-15-4-2-1-3-13(15)21/h1-7,9H,8H2,(H2,23,26)(H,24,25)
InChIKeyLCYQAUFWTGFPJC-UHFFFAOYSA-N
MW455.75 g/mol
LogP5.49
Rot. Bonds6

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

2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(2,4-dichlorophenyl)thiophene-3-carboxamide (PubChem CID 995676) has the molecular formula C19H13Cl3N2O3S and a molecular weight of 455.75 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(2,4-dichlorophenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(2,4-dichlorophenyl)thiophene-3-carboxamide
PubChem CID995676
Molecular FormulaC19H13Cl3N2O3S
Molecular Weight455.75 g/mol
Exact Mass453.97
IUPAC Name2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(2,4-dichlorophenyl)thiophene-3-carboxamide
SMILESNC(=O)c1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)COc1ccccc1Cl
InChIInChI=1S/C19H13Cl3N2O3S/c20-10-5-6-11(14(22)7-10)12-9-28-19(17(12)18(23)26)24-16(25)8-27-15-4-2-1-3-13(15)21/h1-7,9H,8H2,(H2,23,26)(H,24,25)
InChIKeyLCYQAUFWTGFPJC-UHFFFAOYSA-N
XLogP5.49
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.75
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-chlorophenoxy)acetyl]amino]-4-phenylthiophene-3-carboxamide
CID 4135786
2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carboxamide
CID 4531454
ethyl 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate
CID 3430221
ethyl 4-(4-chlorophenyl)-2-[[2-(2-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylate
CID 987083
methyl 4-(2-chlorophenyl)-2-[[2-(2-nitrophenoxy)acetyl]amino]thiophene-3-carboxylate
CID 24569407
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
2-(2-chlorophenoxy)-N-(3-chlorophenyl)acetamide
CID 707250
ethyl 2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 2382749
5-chloro-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzamide
CID 122187999
2-(2,4-dichlorophenoxy)-N-[2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]phenyl]acetamide
CID 2198238
2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
CID 1032604
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenoxy)acetamide
CID 870474

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(2,4-dichlorophenyl)thiophene-3-carboxamide?
The IUPAC name of 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(2,4-dichlorophenyl)thiophene-3-carboxamide (CID 995676) is 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(2,4-dichlorophenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(2,4-dichlorophenyl)thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(2,4-dichlorophenyl)thiophene-3-carboxamide is NC(=O)c1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)COc1ccccc1Cl.
What is the InChIKey of 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(2,4-dichlorophenyl)thiophene-3-carboxamide?
The InChIKey is LCYQAUFWTGFPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl3N2O3S/c20-10-5-6-11(14(22)7-10)12-9-28-19(17(12)18(23)26)24-16(25)8-27-15-4-2-1-3-13(15)21/h1-7,9H,8H2,(H2,23,26)(H,24,25).
What are the key properties of 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(2,4-dichlorophenyl)thiophene-3-carboxamide?
2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(2,4-dichlorophenyl)thiophene-3-carboxamide has a molecular weight of 455.75 g/mol, XLogP of 5.49, 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)thiophene-3-carboxamide is sourced from PubChem (CID 995676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).