N,N-dimethyl-10-oxo-11-phenyl-3-thia-8,9-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,11-tetraene-13-carboxamide

C19H17N3O2S — CID 19913688

IUPACN,N-dimethyl-10-oxo-11-phenyl-3-thia-8,9-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,11-tetraene-13-carboxamide
SMILESCN(C)C(=O)c1cc(-c2ccccc2)c(=O)n2c1-c1sccc1CN2
InChIInChI=1S/C19H17N3O2S/c1-21(2)18(23)15-10-14(12-6-4-3-5-7-12)19(24)22-16(15)17-13(11-20-22)8-9-25-17/h3-10,20H,11H2,1-2H3
InChIKeyARNIELYKCHURLY-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.00
Rot. Bonds2

About N,N-dimethyl-10-oxo-11-phenyl-3-thia-8,9-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,11-tetraene-13-carboxamide

N,N-dimethyl-10-oxo-11-phenyl-3-thia-8,9-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,11-tetraene-13-carboxamide (PubChem CID 19913688) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N,N-dimethyl-10-oxo-11-phenyl-3-thia-8,9-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,11-tetraene-13-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-10-oxo-11-phenyl-3-thia-8,9-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,11-tetraene-13-carboxamide
PubChem CID19913688
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN,N-dimethyl-10-oxo-11-phenyl-3-thia-8,9-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,11-tetraene-13-carboxamide
SMILESCN(C)C(=O)c1cc(-c2ccccc2)c(=O)n2c1-c1sccc1CN2
InChIInChI=1S/C19H17N3O2S/c1-21(2)18(23)15-10-14(12-6-4-3-5-7-12)19(24)22-16(15)17-13(11-20-22)8-9-25-17/h3-10,20H,11H2,1-2H3
InChIKeyARNIELYKCHURLY-UHFFFAOYSA-N
XLogP3.00
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-10-oxo-11-phenyl-3-thia-8,9-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,11-tetraene-13-carboxamide with MolForge

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Related Compounds

13-(3-methoxyazetidine-1-carbonyl)-11-phenyl-3-thia-8,9-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,11-tetraen-10-one
CID 19913666
10-acetyl-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-7-one
CID 14770037
10-chloro-N,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide
CID 18957083
N-(2-dimethylstannylethyl)-7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxamide;hydrochloride
CID 174261914
N-[2-(dimethylamino)ethyl]-11-oxo-12-phenyl-3,7-dithia-10-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,12-tetraene-14-carboxamide
CID 14770179
10-(hydroxymethyl)-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-7-one
CID 14666699
10-(2,6-dimethylmorpholine-4-carbonyl)-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-7-one
CID 14666690
N,N-dimethyl-6-oxo-4-phenyl-1H-pyridine-3-carboxamide
CID 122152918
2-(7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-10-yl)ethylcarbamic acid
CID 67828341
11-oxo-12-phenyl-3,7-dithia-10-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,12-tetraene-14-carboxylic acid
CID 14666742
methyl 7,7,11-trioxo-12-phenyl-3,7λ6-dithia-10-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,8,12-pentaene-14-carboxylate
CID 19020476
10-acetyl-8-(3-fluorophenyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one
CID 19020483

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-10-oxo-11-phenyl-3-thia-8,9-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,11-tetraene-13-carboxamide?
The IUPAC name of N,N-dimethyl-10-oxo-11-phenyl-3-thia-8,9-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,11-tetraene-13-carboxamide (CID 19913688) is N,N-dimethyl-10-oxo-11-phenyl-3-thia-8,9-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,11-tetraene-13-carboxamide.
What is the SMILES notation for N,N-dimethyl-10-oxo-11-phenyl-3-thia-8,9-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,11-tetraene-13-carboxamide?
The canonical SMILES for N,N-dimethyl-10-oxo-11-phenyl-3-thia-8,9-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,11-tetraene-13-carboxamide is CN(C)C(=O)c1cc(-c2ccccc2)c(=O)n2c1-c1sccc1CN2.
What is the InChIKey of N,N-dimethyl-10-oxo-11-phenyl-3-thia-8,9-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,11-tetraene-13-carboxamide?
The InChIKey is ARNIELYKCHURLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-21(2)18(23)15-10-14(12-6-4-3-5-7-12)19(24)22-16(15)17-13(11-20-22)8-9-25-17/h3-10,20H,11H2,1-2H3.
What are the key properties of N,N-dimethyl-10-oxo-11-phenyl-3-thia-8,9-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,11-tetraene-13-carboxamide?
N,N-dimethyl-10-oxo-11-phenyl-3-thia-8,9-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,11-tetraene-13-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-10-oxo-11-phenyl-3-thia-8,9-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,11-tetraene-13-carboxamide is sourced from PubChem (CID 19913688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).