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

C18H19ClN2O4S — CID 112505906

IUPAC2-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1N1CCCS1(=O)=O
InChIInChI=1S/C18H19ClN2O4S/c1-25-17-8-7-15(12-16(17)21-9-2-10-26(21,23)24)20-18(22)11-13-3-5-14(19)6-4-13/h3-8,12H,2,9-11H2,1H3,(H,20,22)
InChIKeyDXUNKUYCTQLUDJ-UHFFFAOYSA-N
MW394.88 g/mol
LogP3.07
Rot. Bonds5

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

2-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]acetamide (PubChem CID 112505906) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]acetamide
PubChem CID112505906
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name2-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1N1CCCS1(=O)=O
InChIInChI=1S/C18H19ClN2O4S/c1-25-17-8-7-15(12-16(17)21-9-2-10-26(21,23)24)20-18(22)11-13-3-5-14(19)6-4-13/h3-8,12H,2,9-11H2,1H3,(H,20,22)
InChIKeyDXUNKUYCTQLUDJ-UHFFFAOYSA-N
XLogP3.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 112505660
1-(3-chlorophenyl)-3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]urea
CID 112505914
N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 7483313
N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110622991
2-(3,4-dimethoxyphenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 7483155
N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110622992
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]-2-fluorobenzamide
CID 112505896
1-(3-chlorophenyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]urea
CID 112505706
N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]-3-thiophen-2-ylpropanamide
CID 110303605
2-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]acetamide
CID 91638722
4-chloro-N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]benzamide
CID 112505577
N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110621311

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]acetamide (CID 112505906) is 2-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]acetamide is COc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1N1CCCS1(=O)=O.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]acetamide?
The InChIKey is DXUNKUYCTQLUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-25-17-8-7-15(12-16(17)21-9-2-10-26(21,23)24)20-18(22)11-13-3-5-14(19)6-4-13/h3-8,12H,2,9-11H2,1H3,(H,20,22).
What are the key properties of 2-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]acetamide?
2-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]acetamide has a molecular weight of 394.88 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]acetamide is sourced from PubChem (CID 112505906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).