N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide

C24H32ClN3O3S — CID 56513801

IUPACN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
SMILESCCN(CC)C(CNC(=O)C(c1ccccc1)N1CCS(=O)(=O)CC1)c1ccccc1Cl
InChIInChI=1S/C24H32ClN3O3S/c1-3-27(4-2)22(20-12-8-9-13-21(20)25)18-26-24(29)23(19-10-6-5-7-11-19)28-14-16-32(30,31)17-15-28/h5-13,22-23H,3-4,14-18H2,1-2H3,(H,26,29)
InChIKeyWOFYDDAYKXHAHU-UHFFFAOYSA-N
MW478.06 g/mol
LogP3.31
Rot. Bonds9

About N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide

N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide (PubChem CID 56513801) has the molecular formula C24H32ClN3O3S and a molecular weight of 478.06 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
PubChem CID56513801
Molecular FormulaC24H32ClN3O3S
Molecular Weight478.06 g/mol
Exact Mass477.19
IUPAC NameN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
SMILESCCN(CC)C(CNC(=O)C(c1ccccc1)N1CCS(=O)(=O)CC1)c1ccccc1Cl
InChIInChI=1S/C24H32ClN3O3S/c1-3-27(4-2)22(20-12-8-9-13-21(20)25)18-26-24(29)23(19-10-6-5-7-11-19)28-14-16-32(30,31)17-15-28/h5-13,22-23H,3-4,14-18H2,1-2H3,(H,26,29)
InChIKeyWOFYDDAYKXHAHU-UHFFFAOYSA-N
XLogP3.31
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.06
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56516620
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-(2-phenylbutyl)acetamide
CID 56516854
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56505983
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56513548
(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
3-amino-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methylbutanamide;dihydrochloride
CID 120502499
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 56516082
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide
CID 34948840
N-[3-[benzyl(methyl)amino]propyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56516594
(2S)-2-(benzenesulfonamido)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]propanamide
CID 55934835
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 N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide (CID 56513801) is N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide is CCN(CC)C(CNC(=O)C(c1ccccc1)N1CCS(=O)(=O)CC1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide?
The InChIKey is WOFYDDAYKXHAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O3S/c1-3-27(4-2)22(20-12-8-9-13-21(20)25)18-26-24(29)23(19-10-6-5-7-11-19)28-14-16-32(30,31)17-15-28/h5-13,22-23H,3-4,14-18H2,1-2H3,(H,26,29).
What are the key properties of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide?
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide has a molecular weight of 478.06 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide is sourced from PubChem (CID 56513801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).