N-methyl-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C22H23N3O2S — CID 46817913

IUPACN-methyl-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCN(C(=O)Cn1cnc2sc3c(c2c1=O)CCC3)C1CCCc2ccccc21
InChIInChI=1S/C22H23N3O2S/c1-24(17-10-4-7-14-6-2-3-8-15(14)17)19(26)12-25-13-23-21-20(22(25)27)16-9-5-11-18(16)28-21/h2-3,6,8,13,17H,4-5,7,9-12H2,1H3
InChIKeyYJIDCOHAHUHWFR-UHFFFAOYSA-N
MW393.51 g/mol
LogP3.48
Rot. Bonds3

About N-methyl-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

N-methyl-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 46817913) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-methyl-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID46817913
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-methyl-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCN(C(=O)Cn1cnc2sc3c(c2c1=O)CCC3)C1CCCc2ccccc21
InChIInChI=1S/C22H23N3O2S/c1-24(17-10-4-7-14-6-2-3-8-15(14)17)19(26)12-25-13-23-21-20(22(25)27)16-9-5-11-18(16)28-21/h2-3,6,8,13,17H,4-5,7,9-12H2,1H3
InChIKeyYJIDCOHAHUHWFR-UHFFFAOYSA-N
XLogP3.48
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide with MolForge

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Related Compounds

N-cyclopropyl-N-methyl-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)acetamide
CID 47499287
N-methyl-N-[(2-methylphenyl)methyl]-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)acetamide
CID 7886099
2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-phenyl-N-prop-2-enylacetamide
CID 8576857
11-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 8004582
methyl 2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)acetate
CID 773007
3-phenacyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 735220
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide
CID 8573508
3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 8001944
11-(3,3-dimethyl-2-oxobutyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 7885794
N-cyclooctyl-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)acetamide
CID 18195211
N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide
CID 8573450
N-(2-cyanoethyl)-N-methyl-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide
CID 30833565

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of N-methyl-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 46817913) is N-methyl-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for N-methyl-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for N-methyl-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is CN(C(=O)Cn1cnc2sc3c(c2c1=O)CCC3)C1CCCc2ccccc21.
What is the InChIKey of N-methyl-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is YJIDCOHAHUHWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-24(17-10-4-7-14-6-2-3-8-15(14)17)19(26)12-25-13-23-21-20(22(25)27)16-9-5-11-18(16)28-21/h2-3,6,8,13,17H,4-5,7,9-12H2,1H3.
What are the key properties of N-methyl-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
N-methyl-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 393.51 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 46817913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).