2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

C24H30N2O3S — CID 56515692

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
SMILESCC(NC(=O)C(c1ccccc1)N1CCS(=O)(=O)CC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C24H30N2O3S/c1-18(21-12-11-19-7-5-6-10-22(19)17-21)25-24(27)23(20-8-3-2-4-9-20)26-13-15-30(28,29)16-14-26/h2-4,8-9,11-12,17-18,23H,5-7,10,13-16H2,1H3,(H,25,27)
InChIKeyMFDQXYLBPAIVHH-UHFFFAOYSA-N
MW426.58 g/mol
LogP3.21
Rot. Bonds5

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (PubChem CID 56515692) has the molecular formula C24H30N2O3S and a molecular weight of 426.58 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
PubChem CID56515692
Molecular FormulaC24H30N2O3S
Molecular Weight426.58 g/mol
Exact Mass426.20
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
SMILESCC(NC(=O)C(c1ccccc1)N1CCS(=O)(=O)CC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C24H30N2O3S/c1-18(21-12-11-19-7-5-6-10-22(19)17-21)25-24(27)23(20-8-3-2-4-9-20)26-13-15-30(28,29)16-14-26/h2-4,8-9,11-12,17-18,23H,5-7,10,13-16H2,1H3,(H,25,27)
InChIKeyMFDQXYLBPAIVHH-UHFFFAOYSA-N
XLogP3.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-phenylacetamide
CID 56513297
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 56515947
(2S)-2-pyrrol-1-yl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 97020916
(2R)-2-amino-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 54995740
(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-methylbutyl)-2-phenylacetamide
CID 95155180
(2S)-2-amino-3-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 119272187
4-oxo-4-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 108795927
3-chloro-2-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 62727577
(2R)-N-butyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 94825159
N-(4-carbamimidoylphenyl)-2-phenyl-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanediamide
CID 59110644
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylacetamide
CID 56504946
2-(2-methoxyphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 133190824

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (CID 56515692) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is CC(NC(=O)C(c1ccccc1)N1CCS(=O)(=O)CC1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The InChIKey is MFDQXYLBPAIVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3S/c1-18(21-12-11-19-7-5-6-10-22(19)17-21)25-24(27)23(20-8-3-2-4-9-20)26-13-15-30(28,29)16-14-26/h2-4,8-9,11-12,17-18,23H,5-7,10,13-16H2,1H3,(H,25,27).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide has a molecular weight of 426.58 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is sourced from PubChem (CID 56515692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).