2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]acetamide

C19H20N2O3S — CID 47064675

IUPAC2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]acetamide
SMILESO=C(CN1CSCC1=O)NCc1cccc(COc2ccccc2)c1
InChIInChI=1S/C19H20N2O3S/c22-18(11-21-14-25-13-19(21)23)20-10-15-5-4-6-16(9-15)12-24-17-7-2-1-3-8-17/h1-9H,10-14H2,(H,20,22)
InChIKeyRULSJKQOMQHPLG-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.41
Rot. Bonds7

About 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]acetamide

2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]acetamide (PubChem CID 47064675) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]acetamide
PubChem CID47064675
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]acetamide
SMILESO=C(CN1CSCC1=O)NCc1cccc(COc2ccccc2)c1
InChIInChI=1S/C19H20N2O3S/c22-18(11-21-14-25-13-19(21)23)20-10-15-5-4-6-16(9-15)12-24-17-7-2-1-3-8-17/h1-9H,10-14H2,(H,20,22)
InChIKeyRULSJKQOMQHPLG-UHFFFAOYSA-N
XLogP2.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxopyrrolidin-1-yl)-N-[(3-phenylmethoxyphenyl)methyl]acetamide
CID 129367971
4-[4-[[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]methyl]phenoxy]butanoic acid
CID 119247191
2-(2-oxopiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 78863989
(2R)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-3-phenylpropanoic acid
CID 103804375
2-(4-oxo-1,3-thiazolidin-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483391
N-[(2-chlorophenyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9209720
3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylpropanoic acid
CID 62884019
N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 55934028
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 55970132
N-[(3-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 47111335
N-(furan-2-ylmethyl)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide
CID 30376287
2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
CID 43170515

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]acetamide (CID 47064675) is 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]acetamide is O=C(CN1CSCC1=O)NCc1cccc(COc2ccccc2)c1.
What is the InChIKey of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]acetamide?
The InChIKey is RULSJKQOMQHPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c22-18(11-21-14-25-13-19(21)23)20-10-15-5-4-6-16(9-15)12-24-17-7-2-1-3-8-17/h1-9H,10-14H2,(H,20,22).
What are the key properties of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]acetamide?
2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]acetamide has a molecular weight of 356.45 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 47064675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).