N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide

C17H23N3O4S — CID 2998820

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESC/N=C1/SC(CC(=O)NCCc2ccc(OC)c(OC)c2)C(=O)N1C
InChIInChI=1S/C17H23N3O4S/c1-18-17-20(2)16(22)14(25-17)10-15(21)19-8-7-11-5-6-12(23-3)13(9-11)24-4/h5-6,9,14H,7-8,10H2,1-4H3,(H,19,21)/b18-17+
InChIKeyKXVNLDDRAGZSSQ-ISLYRVAYSA-N
MW365.46 g/mol
LogP1.31
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (PubChem CID 2998820) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
PubChem CID2998820
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESC/N=C1/SC(CC(=O)NCCc2ccc(OC)c(OC)c2)C(=O)N1C
InChIInChI=1S/C17H23N3O4S/c1-18-17-20(2)16(22)14(25-17)10-15(21)19-8-7-11-5-6-12(23-3)13(9-11)24-4/h5-6,9,14H,7-8,10H2,1-4H3,(H,19,21)/b18-17+
InChIKeyKXVNLDDRAGZSSQ-ISLYRVAYSA-N
XLogP1.31
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (CID 2998820) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is C/N=C1/SC(CC(=O)NCCc2ccc(OC)c(OC)c2)C(=O)N1C.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is KXVNLDDRAGZSSQ-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-18-17-20(2)16(22)14(25-17)10-15(21)19-8-7-11-5-6-12(23-3)13(9-11)24-4/h5-6,9,14H,7-8,10H2,1-4H3,(H,19,21)/b18-17+.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 365.46 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 2998820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).