N-(2,4-dimethoxyphenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide

C15H22N2O5S — CID 91830032

IUPACN-(2,4-dimethoxyphenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide
SMILESCOc1ccc(NC(=O)CCN2CCS(=O)(=O)CC2)c(OC)c1
InChIInChI=1S/C15H22N2O5S/c1-21-12-3-4-13(14(11-12)22-2)16-15(18)5-6-17-7-9-23(19,20)10-8-17/h3-4,11H,5-10H2,1-2H3,(H,16,18)
InChIKeyGQYUUESDPPZLCW-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.76
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide

N-(2,4-dimethoxyphenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide (PubChem CID 91830032) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide
PubChem CID91830032
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-(2,4-dimethoxyphenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide
SMILESCOc1ccc(NC(=O)CCN2CCS(=O)(=O)CC2)c(OC)c1
InChIInChI=1S/C15H22N2O5S/c1-21-12-3-4-13(14(11-12)22-2)16-15(18)5-6-17-7-9-23(19,20)10-8-17/h3-4,11H,5-10H2,1-2H3,(H,16,18)
InChIKeyGQYUUESDPPZLCW-UHFFFAOYSA-N
XLogP0.76
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(2,4-dimethoxyphenyl)-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide
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CID 110689020
N-(4-amino-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 16779280
3-(4-acetylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide
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N-(2,4-dimethoxyphenyl)-2-(1-methylpiperidin-4-yl)acetamide
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3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
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CID 16779432
N-(2,5-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033777
N-(2,4-dimethoxyphenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide (CID 91830032) is N-(2,4-dimethoxyphenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide is COc1ccc(NC(=O)CCN2CCS(=O)(=O)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide?
The InChIKey is GQYUUESDPPZLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-21-12-3-4-13(14(11-12)22-2)16-15(18)5-6-17-7-9-23(19,20)10-8-17/h3-4,11H,5-10H2,1-2H3,(H,16,18).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide?
N-(2,4-dimethoxyphenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide has a molecular weight of 342.42 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide is sourced from PubChem (CID 91830032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).