N-cyclohexyl-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]butanamide

C18H24N2O5S — CID 20909828

IUPACN-cyclohexyl-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]butanamide
SMILESCC(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C18H24N2O5S/c1-12(9-17(21)19-13-5-3-2-4-6-13)26(23,24)14-7-8-16-15(10-14)20-18(22)11-25-16/h7-8,10,12-13H,2-6,9,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyLAIJVNDXJTYGRF-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.02
Rot. Bonds5

About N-cyclohexyl-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]butanamide

N-cyclohexyl-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]butanamide (PubChem CID 20909828) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-cyclohexyl-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]butanamide
PubChem CID20909828
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC NameN-cyclohexyl-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]butanamide
SMILESCC(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C18H24N2O5S/c1-12(9-17(21)19-13-5-3-2-4-6-13)26(23,24)14-7-8-16-15(10-14)20-18(22)11-25-16/h7-8,10,12-13H,2-6,9,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyLAIJVNDXJTYGRF-UHFFFAOYSA-N
XLogP2.02
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]butanamide?
The IUPAC name of N-cyclohexyl-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]butanamide (CID 20909828) is N-cyclohexyl-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]butanamide.
What is the SMILES notation for N-cyclohexyl-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]butanamide?
The canonical SMILES for N-cyclohexyl-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]butanamide is CC(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of N-cyclohexyl-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]butanamide?
The InChIKey is LAIJVNDXJTYGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-12(9-17(21)19-13-5-3-2-4-6-13)26(23,24)14-7-8-16-15(10-14)20-18(22)11-25-16/h7-8,10,12-13H,2-6,9,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-cyclohexyl-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]butanamide?
N-cyclohexyl-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]butanamide has a molecular weight of 380.47 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]butanamide is sourced from PubChem (CID 20909828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).