N-(4-chlorophenyl)-2-[2-ethoxy-4-(piperidine-1-carbothioyl)phenoxy]acetamide

C22H25ClN2O3S — CID 1285420

IUPACN-(4-chlorophenyl)-2-[2-ethoxy-4-(piperidine-1-carbothioyl)phenoxy]acetamide
SMILESCCOc1cc(C(=S)N2CCCCC2)ccc1OCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H25ClN2O3S/c1-2-27-20-14-16(22(29)25-12-4-3-5-13-25)6-11-19(20)28-15-21(26)24-18-9-7-17(23)8-10-18/h6-11,14H,2-5,12-13,15H2,1H3,(H,24,26)
InChIKeySNPHAZHRWGPPJE-UHFFFAOYSA-N
MW432.97 g/mol
LogP4.92
Rot. Bonds7

About N-(4-chlorophenyl)-2-[2-ethoxy-4-(piperidine-1-carbothioyl)phenoxy]acetamide

N-(4-chlorophenyl)-2-[2-ethoxy-4-(piperidine-1-carbothioyl)phenoxy]acetamide (PubChem CID 1285420) has the molecular formula C22H25ClN2O3S and a molecular weight of 432.97 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-ethoxy-4-(piperidine-1-carbothioyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-ethoxy-4-(piperidine-1-carbothioyl)phenoxy]acetamide
PubChem CID1285420
Molecular FormulaC22H25ClN2O3S
Molecular Weight432.97 g/mol
Exact Mass432.13
IUPAC NameN-(4-chlorophenyl)-2-[2-ethoxy-4-(piperidine-1-carbothioyl)phenoxy]acetamide
SMILESCCOc1cc(C(=S)N2CCCCC2)ccc1OCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H25ClN2O3S/c1-2-27-20-14-16(22(29)25-12-4-3-5-13-25)6-11-19(20)28-15-21(26)24-18-9-7-17(23)8-10-18/h6-11,14H,2-5,12-13,15H2,1H3,(H,24,26)
InChIKeySNPHAZHRWGPPJE-UHFFFAOYSA-N
XLogP4.92
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.97
LogP ≤ 54.92
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-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide
CID 126246243
N-(3-chloro-2-methylphenyl)-2-[2-ethoxy-4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide
CID 126252032
N-(4-bromophenyl)-2-[2-ethoxy-4-(4-ethylpiperazine-1-carbothioyl)phenoxy]acetamide
CID 126264063
2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]-N-phenylacetamide
CID 126259259
2-[2-chloro-6-ethoxy-4-(pyrrolidine-1-carbothioyl)phenoxy]-N-(4-methylphenyl)acetamide
CID 126251653
N-(4-chlorophenyl)-2-[2-methoxy-4-(4-methylpiperidine-1-carbothioyl)phenoxy]acetamide
CID 126239726
N-(4-chlorophenyl)-2-[2-iodo-6-methoxy-4-(piperidine-1-carbothioyl)phenoxy]acetamide
CID 126272361
2-[4-(4-benzylpiperazine-1-carbothioyl)-2-ethoxyphenoxy]-N-(4-methoxyphenyl)acetamide
CID 126274009
2-[2-ethoxy-6-iodo-4-(piperidine-1-carbothioyl)phenoxy]-N-(4-ethylphenyl)acetamide
CID 126274308
N-(4-bromo-3-methylphenyl)-2-[2-ethoxy-4-(4-methylpiperazine-1-carbothioyl)phenoxy]acetamide
CID 1291979
2-[2-ethoxy-4-[4-(2-fluorophenyl)piperazine-1-carbothioyl]phenoxy]-N-(4-ethylphenyl)acetamide
CID 126269034
N-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 1156887

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2-ethoxy-4-(piperidine-1-carbothioyl)phenoxy]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2-ethoxy-4-(piperidine-1-carbothioyl)phenoxy]acetamide (CID 1285420) is N-(4-chlorophenyl)-2-[2-ethoxy-4-(piperidine-1-carbothioyl)phenoxy]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-ethoxy-4-(piperidine-1-carbothioyl)phenoxy]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2-ethoxy-4-(piperidine-1-carbothioyl)phenoxy]acetamide is CCOc1cc(C(=S)N2CCCCC2)ccc1OCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-ethoxy-4-(piperidine-1-carbothioyl)phenoxy]acetamide?
The InChIKey is SNPHAZHRWGPPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3S/c1-2-27-20-14-16(22(29)25-12-4-3-5-13-25)6-11-19(20)28-15-21(26)24-18-9-7-17(23)8-10-18/h6-11,14H,2-5,12-13,15H2,1H3,(H,24,26).
What are the key properties of N-(4-chlorophenyl)-2-[2-ethoxy-4-(piperidine-1-carbothioyl)phenoxy]acetamide?
N-(4-chlorophenyl)-2-[2-ethoxy-4-(piperidine-1-carbothioyl)phenoxy]acetamide has a molecular weight of 432.97 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2-ethoxy-4-(piperidine-1-carbothioyl)phenoxy]acetamide is sourced from PubChem (CID 1285420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).