N-[2-(3-methoxyphenyl)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C19H20N2O5S — CID 20898606

IUPACN-[2-(3-methoxyphenyl)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCOc1cccc(CCNC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)c1
InChIInChI=1S/C19H20N2O5S/c1-26-17-7-2-4-14(12-17)8-10-20-19(23)15-5-3-6-16(13-15)21-18(22)9-11-27(21,24)25/h2-7,12-13H,8-11H2,1H3,(H,20,23)
InChIKeyKVOCQJOBYPIVFM-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.73
Rot. Bonds6

About N-[2-(3-methoxyphenyl)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

N-[2-(3-methoxyphenyl)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 20898606) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID20898606
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCOc1cccc(CCNC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)c1
InChIInChI=1S/C19H20N2O5S/c1-26-17-7-2-4-14(12-17)8-10-20-19(23)15-5-3-6-16(13-15)21-18(22)9-11-27(21,24)25/h2-7,12-13H,8-11H2,1H3,(H,20,23)
InChIKeyKVOCQJOBYPIVFM-UHFFFAOYSA-N
XLogP1.73
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109052520
N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 155530519
N-[(1-hydroxycyclopentyl)methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110306432
3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide
CID 42347308
1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109055482
3-methoxy-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]benzamide
CID 110788711
N-[2-(3-methylphenyl)ethyl]-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110307638
N-(furan-2-ylmethyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20898583
N-[2-(3-methoxyphenyl)ethyl]furan-3-carboxamide
CID 47041893
N-[2-(3-methoxyphenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230262
N-cyclohexyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20898578
3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107980616

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 20898606) is N-[2-(3-methoxyphenyl)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is COc1cccc(CCNC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is KVOCQJOBYPIVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-26-17-7-2-4-14(12-17)8-10-20-19(23)15-5-3-6-16(13-15)21-18(22)9-11-27(21,24)25/h2-7,12-13H,8-11H2,1H3,(H,20,23).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
N-[2-(3-methoxyphenyl)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 388.45 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 20898606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).