2-[2-chloro-6-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-N-(2-fluorophenyl)acetamide

C20H20ClFN2O4S — CID 2211577

IUPAC2-[2-chloro-6-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-N-(2-fluorophenyl)acetamide
SMILESCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1OCC(=O)Nc1ccccc1F
InChIInChI=1S/C20H20ClFN2O4S/c1-26-17-11-13(20(29)24-6-8-27-9-7-24)10-14(21)19(17)28-12-18(25)23-16-5-3-2-4-15(16)22/h2-5,10-11H,6-9,12H2,1H3,(H,23,25)
InChIKeyZBBGPNRDMFAUSK-UHFFFAOYSA-N
MW438.91 g/mol
LogP3.51
Rot. Bonds6

About 2-[2-chloro-6-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-N-(2-fluorophenyl)acetamide

2-[2-chloro-6-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-N-(2-fluorophenyl)acetamide (PubChem CID 2211577) has the molecular formula C20H20ClFN2O4S and a molecular weight of 438.91 g/mol. Its IUPAC name is 2-[2-chloro-6-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-6-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-N-(2-fluorophenyl)acetamide
PubChem CID2211577
Molecular FormulaC20H20ClFN2O4S
Molecular Weight438.91 g/mol
Exact Mass438.08
IUPAC Name2-[2-chloro-6-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-N-(2-fluorophenyl)acetamide
SMILESCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1OCC(=O)Nc1ccccc1F
InChIInChI=1S/C20H20ClFN2O4S/c1-26-17-11-13(20(29)24-6-8-27-9-7-24)10-14(21)19(17)28-12-18(25)23-16-5-3-2-4-15(16)22/h2-5,10-11H,6-9,12H2,1H3,(H,23,25)
InChIKeyZBBGPNRDMFAUSK-UHFFFAOYSA-N
XLogP3.51
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.91
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-fluoroanilino)-2-oxoethoxy]-3,5-dimethoxybenzoic acid
CID 99989728
[2-(2-fluoroanilino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253841
2-[2-bromo-6-methoxy-4-(4-methylpiperidine-1-carbothioyl)phenoxy]-N-(2-chlorophenyl)acetamide
CID 126269613
2-[2-chloro-6-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]-N-(2-fluorophenyl)acetamide
CID 3960065
N-(2-chlorophenyl)-2-[4-[4-(4-fluorophenyl)piperazine-1-carbothioyl]-2-methoxyphenoxy]acetamide
CID 126267512
[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione
CID 1261044
2-[2-bromo-6-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 126268540
2-[2-bromo-6-methoxy-4-(4-methylpiperidine-1-carbothioyl)phenoxy]-N-(2,3-dichlorophenyl)acetamide
CID 126261670
2-(2-bromo-4,6-dichlorophenoxy)-N-(2-fluorophenyl)acetamide
CID 17095373
2-[2-chloro-6-ethoxy-4-[4-(4-fluorophenyl)piperazine-1-carbothioyl]phenoxy]-N-phenylacetamide
CID 126266244
N'-[(Z)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-cyclopropyloxamide
CID 126258986
N-(5-chloro-2-methylphenyl)-2-[4-(morpholine-4-carbothioyl)phenoxy]acetamide
CID 126259552

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[2-chloro-6-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-N-(2-fluorophenyl)acetamide (CID 2211577) is 2-[2-chloro-6-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-6-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-chloro-6-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-N-(2-fluorophenyl)acetamide is COc1cc(C(=S)N2CCOCC2)cc(Cl)c1OCC(=O)Nc1ccccc1F.
What is the InChIKey of 2-[2-chloro-6-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-N-(2-fluorophenyl)acetamide?
The InChIKey is ZBBGPNRDMFAUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O4S/c1-26-17-11-13(20(29)24-6-8-27-9-7-24)10-14(21)19(17)28-12-18(25)23-16-5-3-2-4-15(16)22/h2-5,10-11H,6-9,12H2,1H3,(H,23,25).
What are the key properties of 2-[2-chloro-6-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-N-(2-fluorophenyl)acetamide?
2-[2-chloro-6-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-N-(2-fluorophenyl)acetamide has a molecular weight of 438.91 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 2211577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).