2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-phenylacetamide

C20H25N3O3S — CID 110622860

IUPAC2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-phenylacetamide
SMILESCN(C)C(C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C20H25N3O3S/c1-22(2)19(16-8-4-3-5-9-16)20(24)21-17-10-12-18(13-11-17)23-14-6-7-15-27(23,25)26/h3-5,8-13,19H,6-7,14-15H2,1-2H3,(H,21,24)
InChIKeyNGEXXLIYBPPCNY-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.86
Rot. Bonds5

About 2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-phenylacetamide

2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-phenylacetamide (PubChem CID 110622860) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-phenylacetamide
PubChem CID110622860
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-phenylacetamide
SMILESCN(C)C(C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C20H25N3O3S/c1-22(2)19(16-8-4-3-5-9-16)20(24)21-17-10-12-18(13-11-17)23-14-6-7-15-27(23,25)26/h3-5,8-13,19H,6-7,14-15H2,1-2H3,(H,21,24)
InChIKeyNGEXXLIYBPPCNY-UHFFFAOYSA-N
XLogP2.86
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-chlorophenyl)-2-(dimethylamino)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 92614522
N-(4-acetamidophenyl)-2-(dimethylamino)-2-phenylacetamide
CID 47839295
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-phenylpropanamide
CID 7424224
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide
CID 7424221
2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 133166793
1-(3,3-dimethyl-1-phenylbutyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]urea
CID 51115308
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide
CID 7424208
N-[2-(dimethylamino)ethyl]-N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]oxamide
CID 7584659
N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]-N-(2-phenylethyl)oxamide
CID 7584678
2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]pyridine-3-carboxamide
CID 110303537
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenylpropanamide
CID 7627477

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-phenylacetamide?
The IUPAC name of 2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-phenylacetamide (CID 110622860) is 2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-phenylacetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-phenylacetamide?
The canonical SMILES for 2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-phenylacetamide is CN(C)C(C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1.
What is the InChIKey of 2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-phenylacetamide?
The InChIKey is NGEXXLIYBPPCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-22(2)19(16-8-4-3-5-9-16)20(24)21-17-10-12-18(13-11-17)23-14-6-7-15-27(23,25)26/h3-5,8-13,19H,6-7,14-15H2,1-2H3,(H,21,24).
What are the key properties of 2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-phenylacetamide?
2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-phenylacetamide has a molecular weight of 387.51 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 110622860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).