N-[(S)-1-benzofuran-2-yl(phenyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide

C20H20N2O4S — CID 97014856

IUPACN-[(S)-1-benzofuran-2-yl(phenyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
SMILESO=C(CN1CCCS1(=O)=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C20H20N2O4S/c23-19(14-22-11-6-12-27(22,24)25)21-20(15-7-2-1-3-8-15)18-13-16-9-4-5-10-17(16)26-18/h1-5,7-10,13,20H,6,11-12,14H2,(H,21,23)/t20-/m0/s1
InChIKeyQTOFUEQWDFYPQO-FQEVSTJZSA-N
MW384.46 g/mol
LogP2.67
Rot. Bonds5

About N-[(S)-1-benzofuran-2-yl(phenyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide

N-[(S)-1-benzofuran-2-yl(phenyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide (PubChem CID 97014856) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[(S)-1-benzofuran-2-yl(phenyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(S)-1-benzofuran-2-yl(phenyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
PubChem CID97014856
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC NameN-[(S)-1-benzofuran-2-yl(phenyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
SMILESO=C(CN1CCCS1(=O)=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C20H20N2O4S/c23-19(14-22-11-6-12-27(22,24)25)21-20(15-7-2-1-3-8-15)18-13-16-9-4-5-10-17(16)26-18/h1-5,7-10,13,20H,6,11-12,14H2,(H,21,23)/t20-/m0/s1
InChIKeyQTOFUEQWDFYPQO-FQEVSTJZSA-N
XLogP2.67
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(S)-1-benzofuran-2-yl(phenyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide with MolForge

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Related Compounds

N-[1-benzofuran-2-yl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 24556797
N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 51644617
N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-2-(2-fluorophenyl)acetamide
CID 51727752
4-amino-N-[1-benzofuran-2-yl(phenyl)methyl]pentanamide
CID 120559534
N-[(R)-1-benzofuran-2-yl(phenyl)methyl]cyclobutanecarboxamide
CID 40789963
(3S)-N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-methylpiperidine-1-carboxamide
CID 97023553
N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-thiophen-3-ylpropanamide
CID 51644623
2-(benzhydrylamino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 8596608
(2S)-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]-2-phenylacetic acid
CID 119372514
N-[1-benzofuran-2-yl(phenyl)methyl]pyridine-4-carboxamide
CID 42925184
N-[1-benzofuran-2-yl(phenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 24556812
N-[1-benzofuran-2-yl(phenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119275756

Frequently Asked Questions

What is the IUPAC name of N-[(S)-1-benzofuran-2-yl(phenyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide?
The IUPAC name of N-[(S)-1-benzofuran-2-yl(phenyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide (CID 97014856) is N-[(S)-1-benzofuran-2-yl(phenyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide.
What is the SMILES notation for N-[(S)-1-benzofuran-2-yl(phenyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide?
The canonical SMILES for N-[(S)-1-benzofuran-2-yl(phenyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide is O=C(CN1CCCS1(=O)=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of N-[(S)-1-benzofuran-2-yl(phenyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide?
The InChIKey is QTOFUEQWDFYPQO-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H20N2O4S/c23-19(14-22-11-6-12-27(22,24)25)21-20(15-7-2-1-3-8-15)18-13-16-9-4-5-10-17(16)26-18/h1-5,7-10,13,20H,6,11-12,14H2,(H,21,23)/t20-/m0/s1.
What are the key properties of N-[(S)-1-benzofuran-2-yl(phenyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide?
N-[(S)-1-benzofuran-2-yl(phenyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide has a molecular weight of 384.46 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-1-benzofuran-2-yl(phenyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide is sourced from PubChem (CID 97014856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).