2-(4-methylphenoxy)-N-[3-[2-(4-methylphenoxy)acetyl]-1,3-thiazolidin-2-ylidene]acetamide

C21H22N2O4S — CID 3436654

IUPAC2-(4-methylphenoxy)-N-[3-[2-(4-methylphenoxy)acetyl]-1,3-thiazolidin-2-ylidene]acetamide
SMILESCc1ccc(OCC(=O)/N=C2\SCCN2C(=O)COc2ccc(C)cc2)cc1
InChIInChI=1S/C21H22N2O4S/c1-15-3-7-17(8-4-15)26-13-19(24)22-21-23(11-12-28-21)20(25)14-27-18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3/b22-21-
InChIKeyPZZRPPBTEPINRM-DQRAZIAOSA-N
MW398.48 g/mol
LogP3.22
Rot. Bonds6

About 2-(4-methylphenoxy)-N-[3-[2-(4-methylphenoxy)acetyl]-1,3-thiazolidin-2-ylidene]acetamide

2-(4-methylphenoxy)-N-[3-[2-(4-methylphenoxy)acetyl]-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 3436654) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[3-[2-(4-methylphenoxy)acetyl]-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[3-[2-(4-methylphenoxy)acetyl]-1,3-thiazolidin-2-ylidene]acetamide
PubChem CID3436654
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name2-(4-methylphenoxy)-N-[3-[2-(4-methylphenoxy)acetyl]-1,3-thiazolidin-2-ylidene]acetamide
SMILESCc1ccc(OCC(=O)/N=C2\SCCN2C(=O)COc2ccc(C)cc2)cc1
InChIInChI=1S/C21H22N2O4S/c1-15-3-7-17(8-4-15)26-13-19(24)22-21-23(11-12-28-21)20(25)14-27-18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3/b22-21-
InChIKeyPZZRPPBTEPINRM-DQRAZIAOSA-N
XLogP3.22
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-(4-nitrophenoxy)ethanone
CID 18226084
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
4-chloro-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 108569907
1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 120848140
1-[4-[2-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]-2-oxoethoxy]phenyl]propan-1-one
CID 8746600
1,8-bis(4-methylphenoxy)octane-2,7-dione
CID 139326266
1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 110738619
2-naphthalen-2-yloxy-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
CID 11012135
2-(4-methylphenoxy)-1-(1,3-oxazinan-3-yl)ethanone
CID 110739630
2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 92757449
1-[4-[2-(4-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796458

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[3-[2-(4-methylphenoxy)acetyl]-1,3-thiazolidin-2-ylidene]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[3-[2-(4-methylphenoxy)acetyl]-1,3-thiazolidin-2-ylidene]acetamide (CID 3436654) is 2-(4-methylphenoxy)-N-[3-[2-(4-methylphenoxy)acetyl]-1,3-thiazolidin-2-ylidene]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[3-[2-(4-methylphenoxy)acetyl]-1,3-thiazolidin-2-ylidene]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[3-[2-(4-methylphenoxy)acetyl]-1,3-thiazolidin-2-ylidene]acetamide is Cc1ccc(OCC(=O)/N=C2\SCCN2C(=O)COc2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[3-[2-(4-methylphenoxy)acetyl]-1,3-thiazolidin-2-ylidene]acetamide?
The InChIKey is PZZRPPBTEPINRM-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-15-3-7-17(8-4-15)26-13-19(24)22-21-23(11-12-28-21)20(25)14-27-18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3/b22-21-.
What are the key properties of 2-(4-methylphenoxy)-N-[3-[2-(4-methylphenoxy)acetyl]-1,3-thiazolidin-2-ylidene]acetamide?
2-(4-methylphenoxy)-N-[3-[2-(4-methylphenoxy)acetyl]-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 398.48 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[3-[2-(4-methylphenoxy)acetyl]-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 3436654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).