4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzamide

C19H21FN2O4S — CID 17429239

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C19H21FN2O4S/c1-21(12-13-26-18-9-5-16(20)6-10-18)19(23)15-3-7-17(8-4-15)22-11-2-14-27(22,24)25/h3-10H,2,11-14H2,1H3
InChIKeyDVSKILXEDQPBCX-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.52
Rot. Bonds6

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzamide

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzamide (PubChem CID 17429239) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzamide
PubChem CID17429239
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C19H21FN2O4S/c1-21(12-13-26-18-9-5-16(20)6-10-18)19(23)15-3-7-17(8-4-15)22-11-2-14-27(22,24)25/h3-10H,2,11-14H2,1H3
InChIKeyDVSKILXEDQPBCX-UHFFFAOYSA-N
XLogP2.52
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-N-(2-methylpropyl)benzamide
CID 134058834
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 9456726
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methoxy-N-methylbenzamide
CID 47121212
N-[2-(4-tert-butylphenoxy)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 9490187
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 26994062
6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide
CID 60676105
N-[(5-bromothiophen-2-yl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide
CID 55435016
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 55595253
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-(2-oxopiperidin-1-yl)benzamide
CID 31285313
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide
CID 55612233
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134031095
N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(2-oxopiperidin-1-yl)benzamide
CID 24514957

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzamide?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzamide (CID 17429239) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzamide.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzamide?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzamide is CN(CCOc1ccc(F)cc1)C(=O)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzamide?
The InChIKey is DVSKILXEDQPBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-21(12-13-26-18-9-5-16(20)6-10-18)19(23)15-3-7-17(8-4-15)22-11-2-14-27(22,24)25/h3-10H,2,11-14H2,1H3.
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzamide?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzamide has a molecular weight of 392.45 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzamide is sourced from PubChem (CID 17429239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).