N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide

C23H31N3O3S — CID 56505983

IUPACN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
SMILESCc1ccc(C(CNC(=O)C(c2ccccc2)N2CCS(=O)(=O)CC2)N(C)C)cc1
InChIInChI=1S/C23H31N3O3S/c1-18-9-11-19(12-10-18)21(25(2)3)17-24-23(27)22(20-7-5-4-6-8-20)26-13-15-30(28,29)16-14-26/h4-12,21-22H,13-17H2,1-3H3,(H,24,27)
InChIKeySHTGFYDFPYNQCC-UHFFFAOYSA-N
MW429.59 g/mol
LogP2.19
Rot. Bonds7

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

N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide (PubChem CID 56505983) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
PubChem CID56505983
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC NameN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
SMILESCc1ccc(C(CNC(=O)C(c2ccccc2)N2CCS(=O)(=O)CC2)N(C)C)cc1
InChIInChI=1S/C23H31N3O3S/c1-18-9-11-19(12-10-18)21(25(2)3)17-24-23(27)22(20-7-5-4-6-8-20)26-13-15-30(28,29)16-14-26/h4-12,21-22H,13-17H2,1-3H3,(H,24,27)
InChIKeySHTGFYDFPYNQCC-UHFFFAOYSA-N
XLogP2.19
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(dimethylamino)-2-(4-methylphenyl)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-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56513548
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-(2-phenylbutyl)acetamide
CID 56516854
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56513801
(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-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56516620
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)-N'-[2-(4-methylanilino)acetyl]-2-phenylacetohydrazide
CID 56574883
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 56516082
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[3-(1-phenylethoxy)propyl]acetamide
CID 56515058
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-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-phenylacetamide
CID 56505304

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide (CID 56505983) is N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide is Cc1ccc(C(CNC(=O)C(c2ccccc2)N2CCS(=O)(=O)CC2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide?
The InChIKey is SHTGFYDFPYNQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-18-9-11-19(12-10-18)21(25(2)3)17-24-23(27)22(20-7-5-4-6-8-20)26-13-15-30(28,29)16-14-26/h4-12,21-22H,13-17H2,1-3H3,(H,24,27).
What are the key properties of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide?
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide has a molecular weight of 429.59 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide is sourced from PubChem (CID 56505983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).