N-[(4-ethoxyphenyl)carbamothioyl]-2-(2,4,5-trichlorophenoxy)acetamide

C17H15Cl3N2O3S — CID 18525661

IUPACN-[(4-ethoxyphenyl)carbamothioyl]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESCCOc1ccc(NC(=S)NC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C17H15Cl3N2O3S/c1-2-24-11-5-3-10(4-6-11)21-17(26)22-16(23)9-25-15-8-13(19)12(18)7-14(15)20/h3-8H,2,9H2,1H3,(H2,21,22,23,26)
InChIKeyKPWUQPFEXNDWKL-UHFFFAOYSA-N
MW433.74 g/mol
LogP4.94
Rot. Bonds6

About N-[(4-ethoxyphenyl)carbamothioyl]-2-(2,4,5-trichlorophenoxy)acetamide

N-[(4-ethoxyphenyl)carbamothioyl]-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 18525661) has the molecular formula C17H15Cl3N2O3S and a molecular weight of 433.74 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)carbamothioyl]-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)carbamothioyl]-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID18525661
Molecular FormulaC17H15Cl3N2O3S
Molecular Weight433.74 g/mol
Exact Mass431.99
IUPAC NameN-[(4-ethoxyphenyl)carbamothioyl]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESCCOc1ccc(NC(=S)NC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C17H15Cl3N2O3S/c1-2-24-11-5-3-10(4-6-11)21-17(26)22-16(23)9-25-15-8-13(19)12(18)7-14(15)20/h3-8H,2,9H2,1H3,(H2,21,22,23,26)
InChIKeyKPWUQPFEXNDWKL-UHFFFAOYSA-N
XLogP4.94
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.74
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethoxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4164318
2-(4-bromophenoxy)-N-[(3,4-dichlorophenyl)carbamothioyl]acetamide
CID 3342562
2,4-dichloro-N-[(4-ethoxyphenyl)carbamothioyl]benzamide
CID 1340247
N-[(4-acetamidophenyl)carbamothioyl]-2-(4-bromophenoxy)acetamide
CID 1016462
2-(4-methylphenoxy)-N-[(2,4,5-trichlorophenyl)carbamothioyl]acetamide
CID 4634338
2-(2,4-dichlorophenoxy)-N-(phenylcarbamothioyl)acetamide
CID 4630939
N-[[4-[[2-(4-propan-2-ylphenoxy)acetyl]carbamothioylamino]phenyl]carbamothioyl]propanamide
CID 4635544
N-[(4-ethoxyphenyl)carbamothioyl]tetradecanamide
CID 54791972
2-(2-chlorophenoxy)-N-(naphthalen-2-ylcarbamothioyl)acetamide
CID 1016441
1-(4-nitrophenyl)-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]thiourea
CID 17375002
N-(4-acetylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 1047129
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)carbamothioyl]acetamide
CID 922748

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)carbamothioyl]-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-[(4-ethoxyphenyl)carbamothioyl]-2-(2,4,5-trichlorophenoxy)acetamide (CID 18525661) is N-[(4-ethoxyphenyl)carbamothioyl]-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)carbamothioyl]-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-[(4-ethoxyphenyl)carbamothioyl]-2-(2,4,5-trichlorophenoxy)acetamide is CCOc1ccc(NC(=S)NC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)carbamothioyl]-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is KPWUQPFEXNDWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl3N2O3S/c1-2-24-11-5-3-10(4-6-11)21-17(26)22-16(23)9-25-15-8-13(19)12(18)7-14(15)20/h3-8H,2,9H2,1H3,(H2,21,22,23,26).
What are the key properties of N-[(4-ethoxyphenyl)carbamothioyl]-2-(2,4,5-trichlorophenoxy)acetamide?
N-[(4-ethoxyphenyl)carbamothioyl]-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 433.74 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)carbamothioyl]-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 18525661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).