N-[2-(3-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide

C16H23ClN2O3S — CID 47085188

IUPACN-[2-(3-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
SMILESCC(C)(CNC(=O)CN1CCS(=O)(=O)CC1)c1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O3S/c1-16(2,13-4-3-5-14(17)10-13)12-18-15(20)11-19-6-8-23(21,22)9-7-19/h3-5,10H,6-9,11-12H2,1-2H3,(H,18,20)
InChIKeyXKCQPBIEQNNANZ-UHFFFAOYSA-N
MW358.89 g/mol
LogP1.46
Rot. Bonds5

About N-[2-(3-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide

N-[2-(3-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide (PubChem CID 47085188) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
PubChem CID47085188
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC NameN-[2-(3-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
SMILESCC(C)(CNC(=O)CN1CCS(=O)(=O)CC1)c1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O3S/c1-16(2,13-4-3-5-14(17)10-13)12-18-15(20)11-19-6-8-23(21,22)9-7-19/h3-5,10H,6-9,11-12H2,1-2H3,(H,18,20)
InChIKeyXKCQPBIEQNNANZ-UHFFFAOYSA-N
XLogP1.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)-2-methylpropyl]-3-phenylpropanamide
CID 110441534
N-[2-(3-chlorophenyl)-2-methylpropyl]-2-morpholin-4-ylpropanamide
CID 110446361
N-[2-(2,4-dichlorophenyl)-2-methylpropyl]-2-morpholin-4-ylacetamide
CID 110444241
N-[2-(3-chlorophenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119756947
N-(2-amino-4-chlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 43581141
N-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide
CID 110441462
1-[2-(3-chlorophenyl)-2-methylpropyl]-3-(1,1-dioxothiolan-3-yl)-2-methylguanidine;hydroiodide
CID 111140590
N-[2-(3-chlorophenyl)-2-methylpropyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 60604540
N-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
CID 110461441
N-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 8900692
N-(3-acetylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 60546387
3-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-methoxyethyl)propanamide
CID 51128640

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide (CID 47085188) is N-[2-(3-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide is CC(C)(CNC(=O)CN1CCS(=O)(=O)CC1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
The InChIKey is XKCQPBIEQNNANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-16(2,13-4-3-5-14(17)10-13)12-18-15(20)11-19-6-8-23(21,22)9-7-19/h3-5,10H,6-9,11-12H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(3-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
N-[2-(3-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide has a molecular weight of 358.89 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide is sourced from PubChem (CID 47085188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).