4-[(2-chlorophenyl)methoxy]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-methoxybenzamide

C20H19ClN2O5S — CID 55835908

IUPAC4-[(2-chlorophenyl)methoxy]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCN2C(=O)CSC2=O)ccc1OCc1ccccc1Cl
InChIInChI=1S/C20H19ClN2O5S/c1-27-17-10-13(19(25)22-8-9-23-18(24)12-29-20(23)26)6-7-16(17)28-11-14-4-2-3-5-15(14)21/h2-7,10H,8-9,11-12H2,1H3,(H,22,25)
InChIKeyRYDUVGNBMQDYGB-UHFFFAOYSA-N
MW434.90 g/mol
LogP3.35
Rot. Bonds8

About 4-[(2-chlorophenyl)methoxy]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-methoxybenzamide

4-[(2-chlorophenyl)methoxy]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-methoxybenzamide (PubChem CID 55835908) has the molecular formula C20H19ClN2O5S and a molecular weight of 434.90 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-methoxybenzamide
PubChem CID55835908
Molecular FormulaC20H19ClN2O5S
Molecular Weight434.90 g/mol
Exact Mass434.07
IUPAC Name4-[(2-chlorophenyl)methoxy]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCN2C(=O)CSC2=O)ccc1OCc1ccccc1Cl
InChIInChI=1S/C20H19ClN2O5S/c1-27-17-10-13(19(25)22-8-9-23-18(24)12-29-20(23)26)6-7-16(17)28-11-14-4-2-3-5-15(14)21/h2-7,10H,8-9,11-12H2,1H3,(H,22,25)
InChIKeyRYDUVGNBMQDYGB-UHFFFAOYSA-N
XLogP3.35
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.90
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-methoxybenzamide
CID 60857890
4-[(2-chlorophenyl)methoxy]-N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide
CID 55952071
4-[(2-chlorophenyl)methoxy]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methoxybenzamide
CID 55395887
N'-[(2-chlorophenyl)methyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108506190
4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
CID 7780134
3-bromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-methylbenzamide
CID 79467461
4-[(2-chlorophenyl)methoxy]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxybenzamide
CID 47916263
N-[2-(2-chlorophenyl)ethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 25482697
4-[[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 55502037
4-[(2-chlorophenyl)methoxy]-3-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 55363499
[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615797
[(2S)-1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-1-oxopropan-2-yl] 3-fluoro-4-methoxybenzoate
CID 9310115

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-methoxybenzamide?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-methoxybenzamide (CID 55835908) is 4-[(2-chlorophenyl)methoxy]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-methoxybenzamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-methoxybenzamide?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-methoxybenzamide is COc1cc(C(=O)NCCN2C(=O)CSC2=O)ccc1OCc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-methoxybenzamide?
The InChIKey is RYDUVGNBMQDYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O5S/c1-27-17-10-13(19(25)22-8-9-23-18(24)12-29-20(23)26)6-7-16(17)28-11-14-4-2-3-5-15(14)21/h2-7,10H,8-9,11-12H2,1H3,(H,22,25).
What are the key properties of 4-[(2-chlorophenyl)methoxy]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-methoxybenzamide?
4-[(2-chlorophenyl)methoxy]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-methoxybenzamide has a molecular weight of 434.90 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methoxy]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 55835908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).