2-(3-chlorophenyl)-N-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]acetamide

C18H15ClN2O3S — CID 139774309

IUPAC2-(3-chlorophenyl)-N-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]acetamide
SMILESO=C(Cc1cccc(Cl)c1)Nc1ccc(CC2SC(=O)NC2=O)cc1
InChIInChI=1S/C18H15ClN2O3S/c19-13-3-1-2-12(8-13)10-16(22)20-14-6-4-11(5-7-14)9-15-17(23)21-18(24)25-15/h1-8,15H,9-10H2,(H,20,22)(H,21,23,24)
InChIKeyIKQVTIPWROPLHJ-UHFFFAOYSA-N
MW374.85 g/mol
LogP3.42
Rot. Bonds5

About 2-(3-chlorophenyl)-N-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]acetamide

2-(3-chlorophenyl)-N-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]acetamide (PubChem CID 139774309) has the molecular formula C18H15ClN2O3S and a molecular weight of 374.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]acetamide
PubChem CID139774309
Molecular FormulaC18H15ClN2O3S
Molecular Weight374.85 g/mol
Exact Mass374.05
IUPAC Name2-(3-chlorophenyl)-N-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]acetamide
SMILESO=C(Cc1cccc(Cl)c1)Nc1ccc(CC2SC(=O)NC2=O)cc1
InChIInChI=1S/C18H15ClN2O3S/c19-13-3-1-2-12(8-13)10-16(22)20-14-6-4-11(5-7-14)9-15-17(23)21-18(24)25-15/h1-8,15H,9-10H2,(H,20,22)(H,21,23,24)
InChIKeyIKQVTIPWROPLHJ-UHFFFAOYSA-N
XLogP3.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(3-chlorophenyl)acetyl]amino]benzamide
CID 56922735
N-[4-[[2-(3-chlorophenyl)acetyl]amino]phenyl]-2-cyanoacetamide
CID 108922593
5-[[4-[(4-chlorophenyl)diazenyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 162649166
5-[[2-[(3-chlorophenyl)methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 88622906
2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-[4-[[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide
CID 2135569
N-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]carbamate
CID 22341438
N-(2,4-dichlorophenyl)-2-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]acetamide
CID 20777438
5-[[4-[2-(3-chlorophenyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 46911037
2-(3-chlorophenyl)-N-(4-ethylsulfonylphenyl)acetamide
CID 110778659
2-(3-chlorophenyl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide
CID 76945550
N-[3-(chloromethyl)phenyl]-2-(3-chlorophenyl)acetamide
CID 113270904
N-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxyphenyl]-2-(4-fluorophenyl)acetamide
CID 10571429

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]acetamide (CID 139774309) is 2-(3-chlorophenyl)-N-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]acetamide is O=C(Cc1cccc(Cl)c1)Nc1ccc(CC2SC(=O)NC2=O)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]acetamide?
The InChIKey is IKQVTIPWROPLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3S/c19-13-3-1-2-12(8-13)10-16(22)20-14-6-4-11(5-7-14)9-15-17(23)21-18(24)25-15/h1-8,15H,9-10H2,(H,20,22)(H,21,23,24).
What are the key properties of 2-(3-chlorophenyl)-N-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]acetamide?
2-(3-chlorophenyl)-N-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]acetamide has a molecular weight of 374.85 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 139774309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).