N-cycloheptyl-2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)acetamide

C20H23N3O2S — CID 22513943

IUPACN-cycloheptyl-2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)acetamide
SMILESCc1nn(CC(=O)NC2CCCCCC2)c(=O)c2c1sc1ccccc12
InChIInChI=1S/C20H23N3O2S/c1-13-19-18(15-10-6-7-11-16(15)26-19)20(25)23(22-13)12-17(24)21-14-8-4-2-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12H2,1H3,(H,21,24)
InChIKeyANSNXHKWIAMGML-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.76
Rot. Bonds3

About N-cycloheptyl-2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)acetamide

N-cycloheptyl-2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)acetamide (PubChem CID 22513943) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-cycloheptyl-2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)acetamide
PubChem CID22513943
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-cycloheptyl-2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)acetamide
SMILESCc1nn(CC(=O)NC2CCCCCC2)c(=O)c2c1sc1ccccc12
InChIInChI=1S/C20H23N3O2S/c1-13-19-18(15-10-6-7-11-16(15)26-19)20(25)23(22-13)12-17(24)21-14-8-4-2-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12H2,1H3,(H,21,24)
InChIKeyANSNXHKWIAMGML-UHFFFAOYSA-N
XLogP3.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179223
N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)acetamide
CID 92678898
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-4-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)butanamide
CID 92678966
N-methyl-4-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)butanamide
CID 6623728
2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 22513961
3-[2-(cycloheptylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 4963609
N-cyclopentyl-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
CID 71840085
2-(3-benzyl-2,4-dioxo-[1]benzothiolo[3,2-d]pyrimidin-1-yl)-N-cyclohexylacetamide
CID 16811790
N-[(1R,2R)-2-methylcyclohexyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 857351
N-[(1S)-1-(1-adamantyl)ethyl]-4-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)butanamide
CID 92678971
4-methyl-2-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-[1]benzothiolo[2,3-d]pyridazin-1-one
CID 22514228
N-(3-methylbutyl)-4-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)butanamide
CID 22514279

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)acetamide (CID 22513943) is N-cycloheptyl-2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)acetamide is Cc1nn(CC(=O)NC2CCCCCC2)c(=O)c2c1sc1ccccc12.
What is the InChIKey of N-cycloheptyl-2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)acetamide?
The InChIKey is ANSNXHKWIAMGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-13-19-18(15-10-6-7-11-16(15)26-19)20(25)23(22-13)12-17(24)21-14-8-4-2-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12H2,1H3,(H,21,24).
What are the key properties of N-cycloheptyl-2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)acetamide?
N-cycloheptyl-2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)acetamide has a molecular weight of 369.49 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)acetamide is sourced from PubChem (CID 22513943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).