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

C14H18N2O4S — CID 51114475

IUPACN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCOc1ccc(C(O)CNC(=O)CN2CCSC2=O)cc1
InChIInChI=1S/C14H18N2O4S/c1-20-11-4-2-10(3-5-11)12(17)8-15-13(18)9-16-6-7-21-14(16)19/h2-5,12,17H,6-9H2,1H3,(H,15,18)
InChIKeyCGIYOAOZRPRWBL-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.01
Rot. Bonds6

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

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 51114475) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID51114475
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC NameN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCOc1ccc(C(O)CNC(=O)CN2CCSC2=O)cc1
InChIInChI=1S/C14H18N2O4S/c1-20-11-4-2-10(3-5-11)12(17)8-15-13(18)9-16-6-7-21-14(16)19/h2-5,12,17H,6-9H2,1H3,(H,15,18)
InChIKeyCGIYOAOZRPRWBL-UHFFFAOYSA-N
XLogP1.01
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)-phenylmethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 18166415
2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 9089962
N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 97202298
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 7632012
methyl 4-[[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]methyl]benzoate
CID 18106696
[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 137321016
N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 8964257
2-cycloheptyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide
CID 111829496
4-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119293246
methyl 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 43410731
2-(azepan-1-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide
CID 111430562
4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]butanoic acid
CID 119352739

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (CID 51114475) is N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is COc1ccc(C(O)CNC(=O)CN2CCSC2=O)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is CGIYOAOZRPRWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-20-11-4-2-10(3-5-11)12(17)8-15-13(18)9-16-6-7-21-14(16)19/h2-5,12,17H,6-9H2,1H3,(H,15,18).
What are the key properties of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 310.38 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 51114475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).