2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide

C17H17BrN2O3S — CID 21212223

IUPAC2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide
SMILESCCOc1ccccc1NC(=S)NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C17H17BrN2O3S/c1-2-22-15-6-4-3-5-14(15)19-17(24)20-16(21)11-23-13-9-7-12(18)8-10-13/h3-10H,2,11H2,1H3,(H2,19,20,21,24)
InChIKeyFPWYXIRQQHZGOC-UHFFFAOYSA-N
MW409.31 g/mol
LogP3.74
Rot. Bonds6

About 2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide

2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide (PubChem CID 21212223) has the molecular formula C17H17BrN2O3S and a molecular weight of 409.31 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide
PubChem CID21212223
Molecular FormulaC17H17BrN2O3S
Molecular Weight409.31 g/mol
Exact Mass408.01
IUPAC Name2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide
SMILESCCOc1ccccc1NC(=S)NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C17H17BrN2O3S/c1-2-22-15-6-4-3-5-14(15)19-17(24)20-16(21)11-23-13-9-7-12(18)8-10-13/h3-10H,2,11H2,1H3,(H2,19,20,21,24)
InChIKeyFPWYXIRQQHZGOC-UHFFFAOYSA-N
XLogP3.74
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 9140411
4-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2-ethoxyphenyl)benzamide
CID 156704858
N-[(2-ethoxyphenyl)carbamothioyl]-4-phenoxybutanamide
CID 19188354
N-[(2-methylphenyl)carbamothioyl]-2-[4-[2-[(2-methylphenyl)carbamothioylamino]-2-oxoethoxy]phenoxy]acetamide
CID 3644357
2-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]-N-phenylbenzamide
CID 3342560
N-(2-ethoxyphenyl)-2-(4-fluorophenoxy)acetamide
CID 727173
N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 7919529
N-[(4-acetamidophenyl)carbamothioyl]-2-(4-bromophenoxy)acetamide
CID 1016462
N-[(2-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenoxy)acetamide
CID 884926
2-(4-bromophenoxy)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 17074248
N-[(2-ethoxyphenyl)carbamothioyl]-4-methoxybenzamide
CID 1226908
2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide
CID 889519

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide (CID 21212223) is 2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide is CCOc1ccccc1NC(=S)NC(=O)COc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide?
The InChIKey is FPWYXIRQQHZGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3S/c1-2-22-15-6-4-3-5-14(15)19-17(24)20-16(21)11-23-13-9-7-12(18)8-10-13/h3-10H,2,11H2,1H3,(H2,19,20,21,24).
What are the key properties of 2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide?
2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide has a molecular weight of 409.31 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide is sourced from PubChem (CID 21212223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).