N-cyclohexyl-2-(5,5-dioxophenothiazin-10-yl)acetamide

C20H22N2O3S — CID 46339257

IUPACN-cyclohexyl-2-(5,5-dioxophenothiazin-10-yl)acetamide
SMILESO=C(CN1c2ccccc2S(=O)(=O)c2ccccc21)NC1CCCCC1
InChIInChI=1S/C20H22N2O3S/c23-20(21-15-8-2-1-3-9-15)14-22-16-10-4-6-12-18(16)26(24,25)19-13-7-5-11-17(19)22/h4-7,10-13,15H,1-3,8-9,14H2,(H,21,23)
InChIKeyGSIDJGNFMRDQKX-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.42
Rot. Bonds3

About N-cyclohexyl-2-(5,5-dioxophenothiazin-10-yl)acetamide

N-cyclohexyl-2-(5,5-dioxophenothiazin-10-yl)acetamide (PubChem CID 46339257) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-cyclohexyl-2-(5,5-dioxophenothiazin-10-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(5,5-dioxophenothiazin-10-yl)acetamide
PubChem CID46339257
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-cyclohexyl-2-(5,5-dioxophenothiazin-10-yl)acetamide
SMILESO=C(CN1c2ccccc2S(=O)(=O)c2ccccc21)NC1CCCCC1
InChIInChI=1S/C20H22N2O3S/c23-20(21-15-8-2-1-3-9-15)14-22-16-10-4-6-12-18(16)26(24,25)19-13-7-5-11-17(19)22/h4-7,10-13,15H,1-3,8-9,14H2,(H,21,23)
InChIKeyGSIDJGNFMRDQKX-UHFFFAOYSA-N
XLogP3.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 28591837
N-cycloheptyl-2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)acetamide
CID 2446124
2-(3-amino-2-oxo-3H-indol-1-yl)-N-cyclohexylacetamide
CID 43255031
N-cyclohexyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8529369
N-cyclopentyl-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide
CID 22589072
N-cyclohexyl-2-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]acetamide
CID 1216809
N-cycloheptyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 6469730
N-cyclohexyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 859123
2-(3-cyclobutyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-cyclopentylacetamide
CID 138031807
2-[2-(1,3-benzodioxol-5-yl)-1,1,4-trioxo-2,3-dihydro-1λ6,5-benzothiazepin-5-yl]-N-cyclohexylacetamide
CID 43954957
N-cyclohexyl-2-[(4-ethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide
CID 22589374
N-cyclopentyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18136582

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(5,5-dioxophenothiazin-10-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(5,5-dioxophenothiazin-10-yl)acetamide (CID 46339257) is N-cyclohexyl-2-(5,5-dioxophenothiazin-10-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(5,5-dioxophenothiazin-10-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(5,5-dioxophenothiazin-10-yl)acetamide is O=C(CN1c2ccccc2S(=O)(=O)c2ccccc21)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(5,5-dioxophenothiazin-10-yl)acetamide?
The InChIKey is GSIDJGNFMRDQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c23-20(21-15-8-2-1-3-9-15)14-22-16-10-4-6-12-18(16)26(24,25)19-13-7-5-11-17(19)22/h4-7,10-13,15H,1-3,8-9,14H2,(H,21,23).
What are the key properties of N-cyclohexyl-2-(5,5-dioxophenothiazin-10-yl)acetamide?
N-cyclohexyl-2-(5,5-dioxophenothiazin-10-yl)acetamide has a molecular weight of 370.47 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(5,5-dioxophenothiazin-10-yl)acetamide is sourced from PubChem (CID 46339257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).