N-[2-(dimethylamino)ethyl]-N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]oxamide

C16H24N4O4S — CID 7584659

IUPACN-[2-(dimethylamino)ethyl]-N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]oxamide
SMILESCN(C)CCNC(=O)C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C16H24N4O4S/c1-19(2)11-9-17-15(21)16(22)18-13-5-7-14(8-6-13)20-10-3-4-12-25(20,23)24/h5-8H,3-4,9-12H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyFUVJGBFDLUQBSN-UHFFFAOYSA-N
MW368.46 g/mol
LogP0.23
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]oxamide

N-[2-(dimethylamino)ethyl]-N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]oxamide (PubChem CID 7584659) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]oxamide
PubChem CID7584659
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC NameN-[2-(dimethylamino)ethyl]-N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]oxamide
SMILESCN(C)CCNC(=O)C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C16H24N4O4S/c1-19(2)11-9-17-15(21)16(22)18-13-5-7-14(8-6-13)20-10-3-4-12-25(20,23)24/h5-8H,3-4,9-12H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyFUVJGBFDLUQBSN-UHFFFAOYSA-N
XLogP0.23
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]-N-(2-phenylethyl)oxamide
CID 7584678
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide
CID 7424208
N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 71788718
2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-phenylacetamide
CID 110622860
N-cyclopentyl-N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]oxamide
CID 7627719
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide
CID 7424221
N-propyl-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 47226004
N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-methoxyethyl)oxamide
CID 7638922
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide
CID 46979712
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-phenylpropanamide
CID 7424224
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110622867
2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]pyridine-3-carboxamide
CID 110303537

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]oxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]oxamide (CID 7584659) is N-[2-(dimethylamino)ethyl]-N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]oxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]oxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]oxamide is CN(C)CCNC(=O)C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]oxamide?
The InChIKey is FUVJGBFDLUQBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S/c1-19(2)11-9-17-15(21)16(22)18-13-5-7-14(8-6-13)20-10-3-4-12-25(20,23)24/h5-8H,3-4,9-12H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of N-[2-(dimethylamino)ethyl]-N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]oxamide?
N-[2-(dimethylamino)ethyl]-N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]oxamide has a molecular weight of 368.46 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]oxamide is sourced from PubChem (CID 7584659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).