2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide

C14H20N2O4S — CID 51080554

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-20-13-4-2-12(3-5-13)10-15-14(17)11-16-6-8-21(18,19)9-7-16/h2-5H,6-11H2,1H3,(H,15,17)
InChIKeyGICWUAAGQIXASA-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.04
Rot. Bonds5

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 51080554) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID51080554
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-20-13-4-2-12(3-5-13)10-15-14(17)11-16-6-8-21(18,19)9-7-16/h2-5H,6-11H2,1H3,(H,15,17)
InChIKeyGICWUAAGQIXASA-UHFFFAOYSA-N
XLogP0.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 8904372
N-[(4-methoxyphenyl)methyl]-2-(4-phenacylpiperazin-1-yl)acetamide;hydrochloride
CID 141035311
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 27151351
N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 8903596
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 37375142
N-[(4-methoxyphenyl)methyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 34727834
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9262183
N-[[3-(dimethylamino)phenyl]methyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 47088588
2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9433551
N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 33102925
N-[(4-methoxyphenyl)methyl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 71902983
N-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 136580152

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide (CID 51080554) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN2CCS(=O)(=O)CC2)cc1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is GICWUAAGQIXASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-20-13-4-2-12(3-5-13)10-15-14(17)11-16-6-8-21(18,19)9-7-16/h2-5H,6-11H2,1H3,(H,15,17).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 312.39 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 51080554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).