2-(5-chloro-2-methoxyphenyl)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]acetamide

C15H21ClN2O4S — CID 52910536

IUPAC2-(5-chloro-2-methoxyphenyl)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]acetamide
SMILESCOc1ccc(Cl)cc1CC(=O)NCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C15H21ClN2O4S/c1-22-14-3-2-13(16)10-12(14)11-15(19)17-4-5-18-6-8-23(20,21)9-7-18/h2-3,10H,4-9,11H2,1H3,(H,17,19)
InChIKeyVLVGHABLWILPFM-UHFFFAOYSA-N
MW360.86 g/mol
LogP0.74
Rot. Bonds6

About 2-(5-chloro-2-methoxyphenyl)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]acetamide

2-(5-chloro-2-methoxyphenyl)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]acetamide (PubChem CID 52910536) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]acetamide
PubChem CID52910536
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC Name2-(5-chloro-2-methoxyphenyl)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]acetamide
SMILESCOc1ccc(Cl)cc1CC(=O)NCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C15H21ClN2O4S/c1-22-14-3-2-13(16)10-12(14)11-15(19)17-4-5-18-6-8-23(20,21)9-7-18/h2-3,10H,4-9,11H2,1H3,(H,17,19)
InChIKeyVLVGHABLWILPFM-UHFFFAOYSA-N
XLogP0.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-chloro-2-methoxyphenyl)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]acetamide with MolForge

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-(2-piperidin-1-ylethyl)acetamide
CID 86990582
2-(5-chloro-2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119444817
2-(5-chloro-2-methoxyphenyl)-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide
CID 87008728
2-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)acetamide
CID 110767257
2-(2,5-dimethoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119446777
2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 31001529
2-(5-chloro-2-methoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 8935879
2-(5-chloro-2-methoxyphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 39467305
2-(2,5-dimethoxyphenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 78869416
1-(5-chloro-2-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea
CID 2225448
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide
CID 90276982
2-(5-chloro-2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119533390

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]acetamide?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]acetamide (CID 52910536) is 2-(5-chloro-2-methoxyphenyl)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]acetamide is COc1ccc(Cl)cc1CC(=O)NCCN1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]acetamide?
The InChIKey is VLVGHABLWILPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c1-22-14-3-2-13(16)10-12(14)11-15(19)17-4-5-18-6-8-23(20,21)9-7-18/h2-3,10H,4-9,11H2,1H3,(H,17,19).
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]acetamide?
2-(5-chloro-2-methoxyphenyl)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]acetamide has a molecular weight of 360.86 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]acetamide is sourced from PubChem (CID 52910536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).