2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[3-(1-phenylethoxy)propyl]acetamide

C23H30N2O4S — CID 56515058

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[3-(1-phenylethoxy)propyl]acetamide
SMILESCC(OCCCNC(=O)C(c1ccccc1)N1CCS(=O)(=O)CC1)c1ccccc1
InChIInChI=1S/C23H30N2O4S/c1-19(20-9-4-2-5-10-20)29-16-8-13-24-23(26)22(21-11-6-3-7-12-21)25-14-17-30(27,28)18-15-25/h2-7,9-12,19,22H,8,13-18H2,1H3,(H,24,26)
InChIKeyOANFQHVCRXPBFJ-UHFFFAOYSA-N
MW430.57 g/mol
LogP2.74
Rot. Bonds9

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[3-(1-phenylethoxy)propyl]acetamide

2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[3-(1-phenylethoxy)propyl]acetamide (PubChem CID 56515058) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[3-(1-phenylethoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[3-(1-phenylethoxy)propyl]acetamide
PubChem CID56515058
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[3-(1-phenylethoxy)propyl]acetamide
SMILESCC(OCCCNC(=O)C(c1ccccc1)N1CCS(=O)(=O)CC1)c1ccccc1
InChIInChI=1S/C23H30N2O4S/c1-19(20-9-4-2-5-10-20)29-16-8-13-24-23(26)22(21-11-6-3-7-12-21)25-14-17-30(27,28)18-15-25/h2-7,9-12,19,22H,8,13-18H2,1H3,(H,24,26)
InChIKeyOANFQHVCRXPBFJ-UHFFFAOYSA-N
XLogP2.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-butyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 94825159
(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-methylbutyl)-2-phenylacetamide
CID 95155180
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
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 56515475
(1S,6R)-9-methyl-N-[3-[(1R)-1-phenylethoxy]propyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 95908517
1-hydroxy-N-[3-(1-phenylethoxy)propyl]cyclopentane-1-carboxamide
CID 110907153
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56505983
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 56505820
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-phenylacetamide
CID 56573315
2-morpholin-4-yl-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]acetamide
CID 124741961
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-phenylacetamide
CID 56505076

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[3-(1-phenylethoxy)propyl]acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[3-(1-phenylethoxy)propyl]acetamide (CID 56515058) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[3-(1-phenylethoxy)propyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[3-(1-phenylethoxy)propyl]acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[3-(1-phenylethoxy)propyl]acetamide is CC(OCCCNC(=O)C(c1ccccc1)N1CCS(=O)(=O)CC1)c1ccccc1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[3-(1-phenylethoxy)propyl]acetamide?
The InChIKey is OANFQHVCRXPBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-19(20-9-4-2-5-10-20)29-16-8-13-24-23(26)22(21-11-6-3-7-12-21)25-14-17-30(27,28)18-15-25/h2-7,9-12,19,22H,8,13-18H2,1H3,(H,24,26).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[3-(1-phenylethoxy)propyl]acetamide?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[3-(1-phenylethoxy)propyl]acetamide has a molecular weight of 430.57 g/mol, XLogP of 2.74, 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-[3-(1-phenylethoxy)propyl]acetamide is sourced from PubChem (CID 56515058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).