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

C27H30N2O4S — CID 56505820

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
SMILESO=C(NCc1ccccc1COCc1ccccc1)C(c1ccccc1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C27H30N2O4S/c30-27(26(23-11-5-2-6-12-23)29-15-17-34(31,32)18-16-29)28-19-24-13-7-8-14-25(24)21-33-20-22-9-3-1-4-10-22/h1-14,26H,15-21H2,(H,28,30)
InChIKeyIHWVEXODSFOCRK-UHFFFAOYSA-N
MW478.61 g/mol
LogP3.49
Rot. Bonds9

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

2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide (PubChem CID 56505820) has the molecular formula C27H30N2O4S and a molecular weight of 478.61 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
PubChem CID56505820
Molecular FormulaC27H30N2O4S
Molecular Weight478.61 g/mol
Exact Mass478.19
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
SMILESO=C(NCc1ccccc1COCc1ccccc1)C(c1ccccc1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C27H30N2O4S/c30-27(26(23-11-5-2-6-12-23)29-15-17-34(31,32)18-16-29)28-19-24-13-7-8-14-25(24)21-33-20-22-9-3-1-4-10-22/h1-14,26H,15-21H2,(H,28,30)
InChIKeyIHWVEXODSFOCRK-UHFFFAOYSA-N
XLogP3.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.61
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-phenylacetamide
CID 56505304
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 56538727
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-phenylacetamide
CID 56573315
(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-methylbutyl)-2-phenylacetamide
CID 95155180
(2R)-N-butyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 94825159
N-[3-[benzyl(methyl)amino]propyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56516594
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-(2-phenylbutyl)acetamide
CID 56516854
N-[3-[[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]amino]methyl]phenyl]butanamide
CID 56505958
(2S)-2-phenyl-2-pyrrolidin-1-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 52523009
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[3-(1-phenylethoxy)propyl]acetamide
CID 56515058
(2R)-2-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 119286428
N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56539953

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide (CID 56505820) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide is O=C(NCc1ccccc1COCc1ccccc1)C(c1ccccc1)N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide?
The InChIKey is IHWVEXODSFOCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4S/c30-27(26(23-11-5-2-6-12-23)29-15-17-34(31,32)18-16-29)28-19-24-13-7-8-14-25(24)21-33-20-22-9-3-1-4-10-22/h1-14,26H,15-21H2,(H,28,30).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide has a molecular weight of 478.61 g/mol, XLogP of 3.49, 9 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)-2-phenyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 56505820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).