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

C22H23N3O2S2 — CID 14770179

IUPACN-[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
SMILESCN(C)CCNC(=O)c1cc(-c2ccccc2)c(=O)n2c1-c1sccc1SCC2
InChIInChI=1S/C22H23N3O2S2/c1-24(2)10-9-23-21(26)17-14-16(15-6-4-3-5-7-15)22(27)25-11-13-28-18-8-12-29-20(18)19(17)25/h3-8,12,14H,9-11,13H2,1-2H3,(H,23,26)
InChIKeyQHUIEQFKCVODCY-UHFFFAOYSA-N
MW425.58 g/mol
LogP3.64
Rot. Bonds5

About 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

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 (PubChem CID 14770179) has the molecular formula C22H23N3O2S2 and a molecular weight of 425.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID14770179
Molecular FormulaC22H23N3O2S2
Molecular Weight425.58 g/mol
Exact Mass425.12
IUPAC NameN-[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
SMILESCN(C)CCNC(=O)c1cc(-c2ccccc2)c(=O)n2c1-c1sccc1SCC2
InChIInChI=1S/C22H23N3O2S2/c1-24(2)10-9-23-21(26)17-14-16(15-6-4-3-5-7-15)22(27)25-11-13-28-18-8-12-29-20(18)19(17)25/h3-8,12,14H,9-11,13H2,1-2H3,(H,23,26)
InChIKeyQHUIEQFKCVODCY-UHFFFAOYSA-N
XLogP3.64
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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2-(10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride
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CID 24655107
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CID 91804668
N-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide
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CID 170695675
N-[2-(dimethylamino)ethyl]-6-oxo-5-phenyl-1H-pyridine-3-carboxamide
CID 110683760
10-acetyl-8-(3-fluorophenyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one
CID 19020483
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)CCNC(=O)c1cc(-c2ccccc2)c(=O)n2c1-c1sccc1SCC2.
What is the InChIKey of 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?
The InChIKey is QHUIEQFKCVODCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S2/c1-24(2)10-9-23-21(26)17-14-16(15-6-4-3-5-7-15)22(27)25-11-13-28-18-8-12-29-20(18)19(17)25/h3-8,12,14H,9-11,13H2,1-2H3,(H,23,26).
What are the key properties of 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?
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 has a molecular weight of 425.58 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 14770179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).