N-[3-(4-methoxyphenyl)-2-methylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

C16H24N2O4S — CID 122156338

IUPACN-[3-(4-methoxyphenyl)-2-methylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCOc1ccc(CC(C)CNC(=O)N2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-13(11-14-3-5-15(22-2)6-4-14)12-17-16(19)18-7-9-23(20,21)10-8-18/h3-6,13H,7-12H2,1-2H3,(H,17,19)
InChIKeyYVTAXPNEUGSFPX-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.31
Rot. Bonds5

About N-[3-(4-methoxyphenyl)-2-methylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

N-[3-(4-methoxyphenyl)-2-methylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 122156338) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)-2-methylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)-2-methylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID122156338
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC NameN-[3-(4-methoxyphenyl)-2-methylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCOc1ccc(CC(C)CNC(=O)N2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-13(11-14-3-5-15(22-2)6-4-14)12-17-16(19)18-7-9-23(20,21)10-8-18/h3-6,13H,7-12H2,1-2H3,(H,17,19)
InChIKeyYVTAXPNEUGSFPX-UHFFFAOYSA-N
XLogP1.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 124571320
N-[3-(4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 120705474
ethyl 2-[[(2S)-3-(4-methoxyphenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 124927682
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 51080554
5-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl]furan-3-carboxylic acid
CID 120551585
N-[4-(4-methoxyphenyl)butyl]pyrrolidine-1-carboxamide
CID 75377861
4-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]cyclohexane-1-carboxylic acid
CID 122032281
4-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113103421
4-(2-hydroxypropyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 71783478
3-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]propanoic acid
CID 122008074
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 122560013

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)-2-methylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-[3-(4-methoxyphenyl)-2-methylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 122156338) is N-[3-(4-methoxyphenyl)-2-methylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)-2-methylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)-2-methylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is COc1ccc(CC(C)CNC(=O)N2CCS(=O)(=O)CC2)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)-2-methylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is YVTAXPNEUGSFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-13(11-14-3-5-15(22-2)6-4-14)12-17-16(19)18-7-9-23(20,21)10-8-18/h3-6,13H,7-12H2,1-2H3,(H,17,19).
What are the key properties of N-[3-(4-methoxyphenyl)-2-methylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
N-[3-(4-methoxyphenyl)-2-methylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 340.44 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)-2-methylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 122156338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).