N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2-(4-ethoxyphenyl)sulfanylacetamide

C17H24N2O5S2 — CID 56580995

IUPACN-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2-(4-ethoxyphenyl)sulfanylacetamide
SMILESCCOc1ccc(SCC(=O)NC(C)C(=O)N2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C17H24N2O5S2/c1-3-24-14-4-6-15(7-5-14)25-12-16(20)18-13(2)17(21)19-8-10-26(22,23)11-9-19/h4-7,13H,3,8-12H2,1-2H3,(H,18,20)
InChIKeyBICBRCNZIQLCDJ-UHFFFAOYSA-N
MW400.52 g/mol
LogP0.94
Rot. Bonds7

About N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2-(4-ethoxyphenyl)sulfanylacetamide

N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2-(4-ethoxyphenyl)sulfanylacetamide (PubChem CID 56580995) has the molecular formula C17H24N2O5S2 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2-(4-ethoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2-(4-ethoxyphenyl)sulfanylacetamide
PubChem CID56580995
Molecular FormulaC17H24N2O5S2
Molecular Weight400.52 g/mol
Exact Mass400.11
IUPAC NameN-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2-(4-ethoxyphenyl)sulfanylacetamide
SMILESCCOc1ccc(SCC(=O)NC(C)C(=O)N2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C17H24N2O5S2/c1-3-24-14-4-6-15(7-5-14)25-12-16(20)18-13(2)17(21)19-8-10-26(22,23)11-9-19/h4-7,13H,3,8-12H2,1-2H3,(H,18,20)
InChIKeyBICBRCNZIQLCDJ-UHFFFAOYSA-N
XLogP0.94
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2-(4-ethoxyphenyl)sulfanylacetamide with MolForge

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Related Compounds

N-[2-[[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-ethoxybenzamide
CID 56544711
2-(4-ethoxyphenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 134028864
2-benzhydryloxy-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]acetamide
CID 56581123
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 28954114
2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide
CID 60651157
2-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]pentanoic acid
CID 43630659
4-ethoxy-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 95246062
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-ethoxyphenyl)ethanone
CID 110743455
3-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]-2-methylpropanoic acid
CID 62674964
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-phenoxybenzamide
CID 56533555
2-(4-ethoxyphenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 41095805
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 9429409

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2-(4-ethoxyphenyl)sulfanylacetamide?
The IUPAC name of N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2-(4-ethoxyphenyl)sulfanylacetamide (CID 56580995) is N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2-(4-ethoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2-(4-ethoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2-(4-ethoxyphenyl)sulfanylacetamide is CCOc1ccc(SCC(=O)NC(C)C(=O)N2CCS(=O)(=O)CC2)cc1.
What is the InChIKey of N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2-(4-ethoxyphenyl)sulfanylacetamide?
The InChIKey is BICBRCNZIQLCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S2/c1-3-24-14-4-6-15(7-5-14)25-12-16(20)18-13(2)17(21)19-8-10-26(22,23)11-9-19/h4-7,13H,3,8-12H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2-(4-ethoxyphenyl)sulfanylacetamide?
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2-(4-ethoxyphenyl)sulfanylacetamide has a molecular weight of 400.52 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2-(4-ethoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 56580995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).