N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide

C20H24N4O4S — CID 53368461

IUPACN-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
SMILESO=C(Cn1nc2c(cc1=O)CCCC2)Nc1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C20H24N4O4S/c25-19(14-23-20(26)13-15-5-1-2-6-18(15)22-23)21-16-7-9-17(10-8-16)24-11-3-4-12-29(24,27)28/h7-10,13H,1-6,11-12,14H2,(H,21,25)
InChIKeyUBJPLGDSTDHYDI-UHFFFAOYSA-N
MW416.50 g/mol
LogP1.69
Rot. Bonds4

About N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide

N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide (PubChem CID 53368461) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
PubChem CID53368461
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC NameN-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
SMILESO=C(Cn1nc2c(cc1=O)CCCC2)Nc1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C20H24N4O4S/c25-19(14-23-20(26)13-15-5-1-2-6-18(15)22-23)21-16-7-9-17(10-8-16)24-11-3-4-12-29(24,27)28/h7-10,13H,1-6,11-12,14H2,(H,21,25)
InChIKeyUBJPLGDSTDHYDI-UHFFFAOYSA-N
XLogP1.69
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide with MolForge

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Related Compounds

methyl 4-[[2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetyl]amino]benzoate
CID 52902310
2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]acetamide
CID 7584600
N-(6-methoxy-3-pyridinyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 53370439
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide
CID 7424208
N-(3-methoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 52900394
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-indol-1-ylacetamide
CID 53367825
2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-propan-2-ylacetamide
CID 52903099
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-phenylpropanamide
CID 7424224
N-cyclopropyl-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 75465729
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 46360908
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 42490480
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 52900017

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The IUPAC name of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide (CID 53368461) is N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide.
What is the SMILES notation for N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The canonical SMILES for N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide is O=C(Cn1nc2c(cc1=O)CCCC2)Nc1ccc(N2CCCCS2(=O)=O)cc1.
What is the InChIKey of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The InChIKey is UBJPLGDSTDHYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c25-19(14-23-20(26)13-15-5-1-2-6-18(15)22-23)21-16-7-9-17(10-8-16)24-11-3-4-12-29(24,27)28/h7-10,13H,1-6,11-12,14H2,(H,21,25).
What are the key properties of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide has a molecular weight of 416.50 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide is sourced from PubChem (CID 53368461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).