N-(5-chloro-2-methylphenyl)-2-[4-(morpholine-4-carbothioyl)phenoxy]acetamide

C20H21ClN2O3S — CID 126259552

IUPACN-(5-chloro-2-methylphenyl)-2-[4-(morpholine-4-carbothioyl)phenoxy]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)COc1ccc(C(=S)N2CCOCC2)cc1
InChIInChI=1S/C20H21ClN2O3S/c1-14-2-5-16(21)12-18(14)22-19(24)13-26-17-6-3-15(4-7-17)20(27)23-8-10-25-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,22,24)
InChIKeyUEQTWEILSDNUFA-UHFFFAOYSA-N
MW404.92 g/mol
LogP3.67
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-[4-(morpholine-4-carbothioyl)phenoxy]acetamide

N-(5-chloro-2-methylphenyl)-2-[4-(morpholine-4-carbothioyl)phenoxy]acetamide (PubChem CID 126259552) has the molecular formula C20H21ClN2O3S and a molecular weight of 404.92 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[4-(morpholine-4-carbothioyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[4-(morpholine-4-carbothioyl)phenoxy]acetamide
PubChem CID126259552
Molecular FormulaC20H21ClN2O3S
Molecular Weight404.92 g/mol
Exact Mass404.10
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[4-(morpholine-4-carbothioyl)phenoxy]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)COc1ccc(C(=S)N2CCOCC2)cc1
InChIInChI=1S/C20H21ClN2O3S/c1-14-2-5-16(21)12-18(14)22-19(24)13-26-17-6-3-15(4-7-17)20(27)23-8-10-25-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,22,24)
InChIKeyUEQTWEILSDNUFA-UHFFFAOYSA-N
XLogP3.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbothioyl]phenoxy]acetamide
CID 126240587
2-(4-chlorophenoxy)-N-(2-methyl-5-morpholin-4-ylphenyl)acetamide
CID 110362472
N-(2,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide
CID 126248488
N-(2,4-dichlorophenyl)-2-[4-(4-methylpiperidine-1-carbothioyl)phenoxy]acetamide
CID 126236353
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-chlorophenoxy)acetamide
CID 4665478
2-(4-acetamidophenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 964612
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 1094305
2-(4-benzoylphenoxy)-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide
CID 2532185
N-(5-chloro-2-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 78790672
2-[2-bromo-6-methoxy-4-(4-methylpiperazine-1-carbothioyl)phenoxy]-N-(5-chloro-2-methylphenyl)acetamide
CID 126277280
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 3445466
2-(4-chloro-2-methylphenoxy)-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide
CID 3467178

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[4-(morpholine-4-carbothioyl)phenoxy]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[4-(morpholine-4-carbothioyl)phenoxy]acetamide (CID 126259552) is N-(5-chloro-2-methylphenyl)-2-[4-(morpholine-4-carbothioyl)phenoxy]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[4-(morpholine-4-carbothioyl)phenoxy]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[4-(morpholine-4-carbothioyl)phenoxy]acetamide is Cc1ccc(Cl)cc1NC(=O)COc1ccc(C(=S)N2CCOCC2)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[4-(morpholine-4-carbothioyl)phenoxy]acetamide?
The InChIKey is UEQTWEILSDNUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3S/c1-14-2-5-16(21)12-18(14)22-19(24)13-26-17-6-3-15(4-7-17)20(27)23-8-10-25-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,22,24).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[4-(morpholine-4-carbothioyl)phenoxy]acetamide?
N-(5-chloro-2-methylphenyl)-2-[4-(morpholine-4-carbothioyl)phenoxy]acetamide has a molecular weight of 404.92 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[4-(morpholine-4-carbothioyl)phenoxy]acetamide is sourced from PubChem (CID 126259552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).