N-[(4-methoxyphenyl)-phenylmethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

C19H20N2O3S — CID 18166415

IUPACN-[(4-methoxyphenyl)-phenylmethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCOc1ccc(C(NC(=O)CN2CCSC2=O)c2ccccc2)cc1
InChIInChI=1S/C19H20N2O3S/c1-24-16-9-7-15(8-10-16)18(14-5-3-2-4-6-14)20-17(22)13-21-11-12-25-19(21)23/h2-10,18H,11-13H2,1H3,(H,20,22)
InChIKeyXXOQDKHWZOJMMO-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.07
Rot. Bonds6

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

N-[(4-methoxyphenyl)-phenylmethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 18166415) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-phenylmethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-phenylmethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID18166415
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-[(4-methoxyphenyl)-phenylmethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCOc1ccc(C(NC(=O)CN2CCSC2=O)c2ccccc2)cc1
InChIInChI=1S/C19H20N2O3S/c1-24-16-9-7-15(8-10-16)18(14-5-3-2-4-6-14)20-17(22)13-21-11-12-25-19(21)23/h2-10,18H,11-13H2,1H3,(H,20,22)
InChIKeyXXOQDKHWZOJMMO-UHFFFAOYSA-N
XLogP3.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 41176869
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 51114475
(2R)-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylacetic acid
CID 119367826
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 8709816
2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 8528506
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 11929207
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 8709609
2-(3-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 51187291
ethyl 1-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8718915
N-[bis(4-methoxyphenyl)methyl]-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 55387522
N-[1-(4-chlorophenyl)-2-methylpropyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 18140277
2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide
CID 2964251

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-phenylmethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[(4-methoxyphenyl)-phenylmethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (CID 18166415) is N-[(4-methoxyphenyl)-phenylmethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)-phenylmethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)-phenylmethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is COc1ccc(C(NC(=O)CN2CCSC2=O)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)-phenylmethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is XXOQDKHWZOJMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-24-16-9-7-15(8-10-16)18(14-5-3-2-4-6-14)20-17(22)13-21-11-12-25-19(21)23/h2-10,18H,11-13H2,1H3,(H,20,22).
What are the key properties of N-[(4-methoxyphenyl)-phenylmethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[(4-methoxyphenyl)-phenylmethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 356.45 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-phenylmethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 18166415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).