2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine

C20H26N2O4S — CID 119123232

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNCCN2CCCS2(=O)=O)cc1OCc1ccccc1
InChIInChI=1S/C20H26N2O4S/c1-25-19-9-8-18(14-20(19)26-16-17-6-3-2-4-7-17)15-21-10-12-22-11-5-13-27(22,23)24/h2-4,6-9,14,21H,5,10-13,15-16H2,1H3
InChIKeyAMKLUGFOHANFLN-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.40
Rot. Bonds9

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine (PubChem CID 119123232) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine
PubChem CID119123232
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNCCN2CCCS2(=O)=O)cc1OCc1ccccc1
InChIInChI=1S/C20H26N2O4S/c1-25-19-9-8-18(14-20(19)26-16-17-6-3-2-4-7-17)15-21-10-12-22-11-5-13-27(22,23)24/h2-4,6-9,14,21H,5,10-13,15-16H2,1H3
InChIKeyAMKLUGFOHANFLN-UHFFFAOYSA-N
XLogP2.40
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]butane-1,4-diamine
CID 57403137
4-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]-2,2-dimethylbutanoic acid
CID 122126712
3-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]methyl]benzonitrile
CID 119123213
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine
CID 782865
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine
CID 4719341
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylethanamine
CID 4715731
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylethanamine;hydrochloride
CID 17289851
2-[2-(4-methoxy-3-methylphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 82134337
3,4-dimethoxy-N-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]ethyl]benzamide
CID 4309421
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 4718175
N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine;hydrochloride
CID 17292781
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17367645

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine (CID 119123232) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine is COc1ccc(CNCCN2CCCS2(=O)=O)cc1OCc1ccccc1.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine?
The InChIKey is AMKLUGFOHANFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-25-19-9-8-18(14-20(19)26-16-17-6-3-2-4-7-17)15-21-10-12-22-11-5-13-27(22,23)24/h2-4,6-9,14,21H,5,10-13,15-16H2,1H3.
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine has a molecular weight of 390.51 g/mol, XLogP of 2.40, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 119123232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).