4-cyano-5-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,N-diethyl-3-methylthiophene-2-carboxamide

C19H19Cl2N3O3S — CID 1131537

IUPAC4-cyano-5-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,N-diethyl-3-methylthiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1sc(NC(=O)COc2ccc(Cl)cc2Cl)c(C#N)c1C
InChIInChI=1S/C19H19Cl2N3O3S/c1-4-24(5-2)19(26)17-11(3)13(9-22)18(28-17)23-16(25)10-27-15-7-6-12(20)8-14(15)21/h6-8H,4-5,10H2,1-3H3,(H,23,25)
InChIKeyZYASIJYJKJCIBM-UHFFFAOYSA-N
MW440.35 g/mol
LogP4.73
Rot. Bonds7

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

4-cyano-5-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,N-diethyl-3-methylthiophene-2-carboxamide (PubChem CID 1131537) has the molecular formula C19H19Cl2N3O3S and a molecular weight of 440.35 g/mol. Its IUPAC name is 4-cyano-5-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,N-diethyl-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-cyano-5-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,N-diethyl-3-methylthiophene-2-carboxamide
PubChem CID1131537
Molecular FormulaC19H19Cl2N3O3S
Molecular Weight440.35 g/mol
Exact Mass439.05
IUPAC Name4-cyano-5-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,N-diethyl-3-methylthiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1sc(NC(=O)COc2ccc(Cl)cc2Cl)c(C#N)c1C
InChIInChI=1S/C19H19Cl2N3O3S/c1-4-24(5-2)19(26)17-11(3)13(9-22)18(28-17)23-16(25)10-27-15-7-6-12(20)8-14(15)21/h6-8H,4-5,10H2,1-3H3,(H,23,25)
InChIKeyZYASIJYJKJCIBM-UHFFFAOYSA-N
XLogP4.73
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.35
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cyano-5-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,N-diethyl-3-methylthiophene-2-carboxamide with MolForge

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Related Compounds

methyl 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 1001343
N,N'-bis[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]butanediamide
CID 4609681
ethyl 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 1012398
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-(2,4-dichlorophenoxy)butanamide
CID 2171070
4-cyano-5-[(3,4-dimethoxybenzoyl)amino]-N,N-diethyl-3-methylthiophene-2-carboxamide
CID 1131492
propan-2-yl 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 3562624
ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-methyl-5-(propylcarbamoyl)thiophene-3-carboxylate
CID 17063925
5-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide
CID 1221070
5-[(5-chlorothiophene-2-carbonyl)amino]-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide
CID 5107734
4-cyano-N,N-diethyl-3-methyl-5-[(3,4,5-triethoxybenzoyl)amino]thiophene-2-carboxamide
CID 3766067
ethyl 5-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-4-cyano-3-methylthiophene-2-carboxylate
CID 55327356
5-[(2-chloro-4-nitrobenzoyl)amino]-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide
CID 3351801

Frequently Asked Questions

What is the IUPAC name of 4-cyano-5-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,N-diethyl-3-methylthiophene-2-carboxamide?
The IUPAC name of 4-cyano-5-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,N-diethyl-3-methylthiophene-2-carboxamide (CID 1131537) is 4-cyano-5-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,N-diethyl-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-cyano-5-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,N-diethyl-3-methylthiophene-2-carboxamide?
The canonical SMILES for 4-cyano-5-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,N-diethyl-3-methylthiophene-2-carboxamide is CCN(CC)C(=O)c1sc(NC(=O)COc2ccc(Cl)cc2Cl)c(C#N)c1C.
What is the InChIKey of 4-cyano-5-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,N-diethyl-3-methylthiophene-2-carboxamide?
The InChIKey is ZYASIJYJKJCIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O3S/c1-4-24(5-2)19(26)17-11(3)13(9-22)18(28-17)23-16(25)10-27-15-7-6-12(20)8-14(15)21/h6-8H,4-5,10H2,1-3H3,(H,23,25).
What are the key properties of 4-cyano-5-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,N-diethyl-3-methylthiophene-2-carboxamide?
4-cyano-5-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,N-diethyl-3-methylthiophene-2-carboxamide has a molecular weight of 440.35 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-5-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,N-diethyl-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 1131537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).