(4-ethylphenyl) 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate

C18H19NO4S — CID 134030266

IUPAC(4-ethylphenyl) 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
SMILESCCc1ccc(OC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1
InChIInChI=1S/C18H19NO4S/c1-2-14-4-10-17(11-5-14)23-18(20)15-6-8-16(9-7-15)19-12-3-13-24(19,21)22/h4-11H,2-3,12-13H2,1H3
InChIKeyYYWQJHNEJGRJCZ-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.01
Rot. Bonds4

About (4-ethylphenyl) 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate

(4-ethylphenyl) 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate (PubChem CID 134030266) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is (4-ethylphenyl) 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate.

Molecular Properties

Compound Name(4-ethylphenyl) 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
PubChem CID134030266
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name(4-ethylphenyl) 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
SMILESCCc1ccc(OC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1
InChIInChI=1S/C18H19NO4S/c1-2-14-4-10-17(11-5-14)23-18(20)15-6-8-16(9-7-15)19-12-3-13-24(19,21)22/h4-11H,2-3,12-13H2,1H3
InChIKeyYYWQJHNEJGRJCZ-UHFFFAOYSA-N
XLogP3.01
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 55595253
(2-ethylcyclohexyl) 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 78818907
[2-(butan-2-ylamino)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 18099184
[4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate
CID 118103231
[4-[1-[4-(4-ethylbenzoyl)oxyphenyl]cyclohexyl]phenyl] 4-ethylbenzoate
CID 58453565
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 18099171
[1-(2-methylpropylamino)-1-oxopropan-2-yl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55442423
(4-ethylphenyl) 4-chlorobenzoate
CID 695931
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methoxy-N-methylbenzamide
CID 47121212
[2-(3-methoxyphenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 18099179
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 9456726
[6-(4-ethylbenzoyl)oxynaphthalen-2-yl] 4-ethylbenzoate
CID 59281890

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl) 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate?
The IUPAC name of (4-ethylphenyl) 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate (CID 134030266) is (4-ethylphenyl) 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate.
What is the SMILES notation for (4-ethylphenyl) 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate?
The canonical SMILES for (4-ethylphenyl) 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate is CCc1ccc(OC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1.
What is the InChIKey of (4-ethylphenyl) 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate?
The InChIKey is YYWQJHNEJGRJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-2-14-4-10-17(11-5-14)23-18(20)15-6-8-16(9-7-15)19-12-3-13-24(19,21)22/h4-11H,2-3,12-13H2,1H3.
What are the key properties of (4-ethylphenyl) 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate?
(4-ethylphenyl) 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate has a molecular weight of 345.42 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl) 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate is sourced from PubChem (CID 134030266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).