N-[2-(2-chlorophenyl)ethyl]-2-(9-oxo-7-thia-2,10-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,5,11,13-pentaen-10-yl)acetamide

C22H20ClN3O2S — CID 22575299

IUPACN-[2-(2-chlorophenyl)ethyl]-2-(9-oxo-7-thia-2,10-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,5,11,13-pentaen-10-yl)acetamide
SMILESO=C(CN1C(=O)CSc2cccn2-c2ccccc21)NCCc1ccccc1Cl
InChIInChI=1S/C22H20ClN3O2S/c23-17-7-2-1-6-16(17)11-12-24-20(27)14-26-19-9-4-3-8-18(19)25-13-5-10-22(25)29-15-21(26)28/h1-10,13H,11-12,14-15H2,(H,24,27)
InChIKeyRKKABVXIGGAUQJ-UHFFFAOYSA-N
MW425.94 g/mol
LogP3.93
Rot. Bonds5

About N-[2-(2-chlorophenyl)ethyl]-2-(9-oxo-7-thia-2,10-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,5,11,13-pentaen-10-yl)acetamide

N-[2-(2-chlorophenyl)ethyl]-2-(9-oxo-7-thia-2,10-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,5,11,13-pentaen-10-yl)acetamide (PubChem CID 22575299) has the molecular formula C22H20ClN3O2S and a molecular weight of 425.94 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-2-(9-oxo-7-thia-2,10-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,5,11,13-pentaen-10-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-2-(9-oxo-7-thia-2,10-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,5,11,13-pentaen-10-yl)acetamide
PubChem CID22575299
Molecular FormulaC22H20ClN3O2S
Molecular Weight425.94 g/mol
Exact Mass425.10
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-2-(9-oxo-7-thia-2,10-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,5,11,13-pentaen-10-yl)acetamide
SMILESO=C(CN1C(=O)CSc2cccn2-c2ccccc21)NCCc1ccccc1Cl
InChIInChI=1S/C22H20ClN3O2S/c23-17-7-2-1-6-16(17)11-12-24-20(27)14-26-19-9-4-3-8-18(19)25-13-5-10-22(25)29-15-21(26)28/h1-10,13H,11-12,14-15H2,(H,24,27)
InChIKeyRKKABVXIGGAUQJ-UHFFFAOYSA-N
XLogP3.93
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-chlorophenyl)ethyl]-2-(9-oxo-7-thia-2,10-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,5,11,13-pentaen-10-yl)acetamide with MolForge

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Related Compounds

2-(9-oxo-7-thia-2,10-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,5,11,13-pentaen-10-yl)-N-(3-phenylpropyl)acetamide
CID 22575257
N-[2-(4-methylsulfanylphenyl)ethyl]-2-(9-oxo-7-thia-2,10-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,5,11,13-pentaen-10-yl)acetamide
CID 22575296
2-(9-oxo-7-thia-2,10-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,5,11,13-pentaen-10-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 22575283
N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(9-oxo-7-thia-2,10-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,5,11,13-pentaen-10-yl)acetamide
CID 22575285
N-[(4-ethylphenyl)methyl]-2-(9-oxo-7-thia-2,10-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,5,11,13-pentaen-10-yl)acetamide
CID 22575300
2-(5-chloro-2-oxo-3H-indol-1-yl)-N-[2-(2-chlorophenyl)ethyl]acetamide
CID 67247022
N-[2-(4-chlorophenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 3660987
10-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-7-thia-2,10-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,5,11,13-pentaen-9-one
CID 22575247
N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 3262031
2-(3-oxo-1,4-benzothiazin-4-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 34980093
N-[(2-chlorophenyl)methyl]-2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide
CID 46387666
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 5115832

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-2-(9-oxo-7-thia-2,10-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,5,11,13-pentaen-10-yl)acetamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-2-(9-oxo-7-thia-2,10-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,5,11,13-pentaen-10-yl)acetamide (CID 22575299) is N-[2-(2-chlorophenyl)ethyl]-2-(9-oxo-7-thia-2,10-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,5,11,13-pentaen-10-yl)acetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-2-(9-oxo-7-thia-2,10-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,5,11,13-pentaen-10-yl)acetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-2-(9-oxo-7-thia-2,10-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,5,11,13-pentaen-10-yl)acetamide is O=C(CN1C(=O)CSc2cccn2-c2ccccc21)NCCc1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-2-(9-oxo-7-thia-2,10-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,5,11,13-pentaen-10-yl)acetamide?
The InChIKey is RKKABVXIGGAUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2S/c23-17-7-2-1-6-16(17)11-12-24-20(27)14-26-19-9-4-3-8-18(19)25-13-5-10-22(25)29-15-21(26)28/h1-10,13H,11-12,14-15H2,(H,24,27).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-2-(9-oxo-7-thia-2,10-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,5,11,13-pentaen-10-yl)acetamide?
N-[2-(2-chlorophenyl)ethyl]-2-(9-oxo-7-thia-2,10-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,5,11,13-pentaen-10-yl)acetamide has a molecular weight of 425.94 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-2-(9-oxo-7-thia-2,10-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,5,11,13-pentaen-10-yl)acetamide is sourced from PubChem (CID 22575299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).