N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-phenylacetamide

C23H30N2O4S — CID 56573537

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-phenylacetamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)C(c2ccccc2)N2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C23H30N2O4S/c1-18-15-19(2)17-21(16-18)29-12-9-24(3)23(26)22(20-7-5-4-6-8-20)25-10-13-30(27,28)14-11-25/h4-8,15-17,22H,9-14H2,1-3H3
InChIKeySLFLDDCDFWDBLD-UHFFFAOYSA-N
MW430.57 g/mol
LogP2.61
Rot. Bonds7

About N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-phenylacetamide

N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-phenylacetamide (PubChem CID 56573537) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-phenylacetamide
PubChem CID56573537
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-phenylacetamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)C(c2ccccc2)N2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C23H30N2O4S/c1-18-15-19(2)17-21(16-18)29-12-9-24(3)23(26)22(20-7-5-4-6-8-20)25-10-13-30(27,28)14-11-25/h4-8,15-17,22H,9-14H2,1-3H3
InChIKeySLFLDDCDFWDBLD-UHFFFAOYSA-N
XLogP2.61
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-phenylacetamide with MolForge

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-phenylacetamide
CID 56515048
N-[(5-bromofuran-2-yl)methyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-phenylacetamide
CID 56573025
N-[2-(3,5-dimethylphenoxy)ethyl]-2,2-difluoro-N-methylacetamide
CID 113219438
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 55430363
2-(azetidin-3-yl)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpropanamide
CID 116676227
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-phenylpropanamide
CID 119695657
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-phenylacetamide
CID 56573315
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56505983
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-(methylamino)propanamide
CID 62639499
ethyl 4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]piperazine-1-carboxylate
CID 56516688
2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide
CID 54869826
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56574904

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-phenylacetamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-phenylacetamide (CID 56573537) is N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-phenylacetamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-phenylacetamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-phenylacetamide is Cc1cc(C)cc(OCCN(C)C(=O)C(c2ccccc2)N2CCS(=O)(=O)CC2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-phenylacetamide?
The InChIKey is SLFLDDCDFWDBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-18-15-19(2)17-21(16-18)29-12-9-24(3)23(26)22(20-7-5-4-6-8-20)25-10-13-30(27,28)14-11-25/h4-8,15-17,22H,9-14H2,1-3H3.
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-phenylacetamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-phenylacetamide has a molecular weight of 430.57 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-phenylacetamide is sourced from PubChem (CID 56573537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).