N-(4-methoxybutyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C16H22N2O5S — CID 110617107

IUPACN-(4-methoxybutyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCOCCCCNC(=O)c1cccc(N2C(=O)C(C)CS2(=O)=O)c1
InChIInChI=1S/C16H22N2O5S/c1-12-11-24(21,22)18(16(12)20)14-7-5-6-13(10-14)15(19)17-8-3-4-9-23-2/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,17,19)
InChIKeyNHYWCKIJRXOPQG-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.16
Rot. Bonds7

About N-(4-methoxybutyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

N-(4-methoxybutyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 110617107) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(4-methoxybutyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-methoxybutyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID110617107
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC NameN-(4-methoxybutyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCOCCCCNC(=O)c1cccc(N2C(=O)C(C)CS2(=O)=O)c1
InChIInChI=1S/C16H22N2O5S/c1-12-11-24(21,22)18(16(12)20)14-7-5-6-13(10-14)15(19)17-8-3-4-9-23-2/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,17,19)
InChIKeyNHYWCKIJRXOPQG-UHFFFAOYSA-N
XLogP1.16
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.16
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

3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide
CID 42347308
N-[2-(3-methylphenyl)ethyl]-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110307638
N-[(2-methylphenyl)methyl]-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347170
N-(furan-2-ylmethyl)-3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347158
3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-phenylbenzamide
CID 42347874
N-(2-methoxyphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42348135
N-(4-methoxybutyl)-3-pyrrol-1-ylbenzamide
CID 110617094
N-(3,4-dimethylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347946
N-butyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21006908
N-(4-ethoxyphenyl)-3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42348164
N-(4-ethoxyphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42348169
3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2,4,6-trimethylphenyl)benzamide
CID 42348031

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-(4-methoxybutyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 110617107) is N-(4-methoxybutyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-(4-methoxybutyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-(4-methoxybutyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is COCCCCNC(=O)c1cccc(N2C(=O)C(C)CS2(=O)=O)c1.
What is the InChIKey of N-(4-methoxybutyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is NHYWCKIJRXOPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-12-11-24(21,22)18(16(12)20)14-7-5-6-13(10-14)15(19)17-8-3-4-9-23-2/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,17,19).
What are the key properties of N-(4-methoxybutyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
N-(4-methoxybutyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 354.43 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 110617107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).