N-[2-methoxy-4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide

C22H19Cl3N2O4S — CID 17117567

IUPACN-[2-methoxy-4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)ccc1NC(=O)c1cccs1
InChIInChI=1S/C22H19Cl3N2O4S/c1-11-18(23)12(2)20(25)21(19(11)24)31-10-17(28)26-13-6-7-14(15(9-13)30-3)27-22(29)16-5-4-8-32-16/h4-9H,10H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyJKAJQLNYSTZBCH-UHFFFAOYSA-N
MW513.83 g/mol
LogP6.60
Rot. Bonds7

About N-[2-methoxy-4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide

N-[2-methoxy-4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide (PubChem CID 17117567) has the molecular formula C22H19Cl3N2O4S and a molecular weight of 513.83 g/mol. Its IUPAC name is N-[2-methoxy-4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
PubChem CID17117567
Molecular FormulaC22H19Cl3N2O4S
Molecular Weight513.83 g/mol
Exact Mass512.01
IUPAC NameN-[2-methoxy-4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)ccc1NC(=O)c1cccs1
InChIInChI=1S/C22H19Cl3N2O4S/c1-11-18(23)12(2)20(25)21(19(11)24)31-10-17(28)26-13-6-7-14(15(9-13)30-3)27-22(29)16-5-4-8-32-16/h4-9H,10H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyJKAJQLNYSTZBCH-UHFFFAOYSA-N
XLogP6.60
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.83
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-methoxy-4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3161370
N-[2-methoxy-4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 3161498
N-[4-(3-aminopropanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide
CID 92944479
N-[4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 22780919
N-[4-(hexanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide
CID 17102328
N-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3161499
N-(4-chloro-3-methoxyphenyl)thiophene-2-carboxamide
CID 107271770
N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 1258183
N-[2-methoxy-4-[(2-methoxy-3-methylbenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide
CID 17104937
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 731690
N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235
N-[4-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 21211528

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-methoxy-4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide (CID 17117567) is N-[2-methoxy-4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-methoxy-4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-methoxy-4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide is COc1cc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)ccc1NC(=O)c1cccs1.
What is the InChIKey of N-[2-methoxy-4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide?
The InChIKey is JKAJQLNYSTZBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl3N2O4S/c1-11-18(23)12(2)20(25)21(19(11)24)31-10-17(28)26-13-6-7-14(15(9-13)30-3)27-22(29)16-5-4-8-32-16/h4-9H,10H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of N-[2-methoxy-4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide?
N-[2-methoxy-4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide has a molecular weight of 513.83 g/mol, XLogP of 6.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 17117567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).