N-cyclohexyl-2-(6-ethylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

C18H24N2O5S — CID 95917193

IUPACN-cyclohexyl-2-(6-ethylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCCS(=O)(=O)c1ccc2c(c1)N(CC(=O)NC1CCCCC1)C(=O)CO2
InChIInChI=1S/C18H24N2O5S/c1-2-26(23,24)14-8-9-16-15(10-14)20(18(22)12-25-16)11-17(21)19-13-6-4-3-5-7-13/h8-10,13H,2-7,11-12H2,1H3,(H,19,21)
InChIKeyRSEXZBGKZGAFOU-UHFFFAOYSA-N
MW380.47 g/mol
LogP1.65
Rot. Bonds5

About N-cyclohexyl-2-(6-ethylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

N-cyclohexyl-2-(6-ethylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 95917193) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-cyclohexyl-2-(6-ethylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(6-ethylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID95917193
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC NameN-cyclohexyl-2-(6-ethylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCCS(=O)(=O)c1ccc2c(c1)N(CC(=O)NC1CCCCC1)C(=O)CO2
InChIInChI=1S/C18H24N2O5S/c1-2-26(23,24)14-8-9-16-15(10-14)20(18(22)12-25-16)11-17(21)19-13-6-4-3-5-7-13/h8-10,13H,2-7,11-12H2,1H3,(H,19,21)
InChIKeyRSEXZBGKZGAFOU-UHFFFAOYSA-N
XLogP1.65
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 20903045
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide
CID 23410828
N-cyclopropyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 20876450
N-(4-methylcyclohexyl)-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 20903071
N-cyclopentyl-2-(7-hydroxy-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 82063564
2-[6-(cyclopentylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(2-ethylphenyl)acetamide
CID 20914115
N-cyclohexyl-2-[3-oxo-6-(2-phenoxyacetyl)-1,4-benzoxazin-4-yl]acetamide
CID 42847182
2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(3R)-oxan-3-yl]acetamide
CID 51497838
N-cyclohexyl-2-[6-[2-(2-methoxy-4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 46035563
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(3-oxo-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-4-yl)acetamide
CID 98471531
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(3-oxo-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-4-yl)acetamide
CID 98471530
N-(1-benzylpiperidin-4-yl)-2-[6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 98209043

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(6-ethylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(6-ethylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 95917193) is N-cyclohexyl-2-(6-ethylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(6-ethylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(6-ethylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is CCS(=O)(=O)c1ccc2c(c1)N(CC(=O)NC1CCCCC1)C(=O)CO2.
What is the InChIKey of N-cyclohexyl-2-(6-ethylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is RSEXZBGKZGAFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-2-26(23,24)14-8-9-16-15(10-14)20(18(22)12-25-16)11-17(21)19-13-6-4-3-5-7-13/h8-10,13H,2-7,11-12H2,1H3,(H,19,21).
What are the key properties of N-cyclohexyl-2-(6-ethylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-cyclohexyl-2-(6-ethylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 380.47 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(6-ethylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 95917193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).