N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide

C15H18N2O5S — CID 51928661

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
SMILESC[C@H]1Oc2ccccc2N(CC(=O)N[C@H]2CCS(=O)(=O)C2)C1=O
InChIInChI=1S/C15H18N2O5S/c1-10-15(19)17(12-4-2-3-5-13(12)22-10)8-14(18)16-11-6-7-23(20,21)9-11/h2-5,10-11H,6-9H2,1H3,(H,16,18)/t10-,11+/m1/s1
InChIKeyGAZHRLBLUZIHCM-MNOVXSKESA-N
MW338.38 g/mol
LogP0.10
Rot. Bonds3

About N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide

N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide (PubChem CID 51928661) has the molecular formula C15H18N2O5S and a molecular weight of 338.38 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
PubChem CID51928661
Molecular FormulaC15H18N2O5S
Molecular Weight338.38 g/mol
Exact Mass338.09
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
SMILESC[C@H]1Oc2ccccc2N(CC(=O)N[C@H]2CCS(=O)(=O)C2)C1=O
InChIInChI=1S/C15H18N2O5S/c1-10-15(19)17(12-4-2-3-5-13(12)22-10)8-14(18)16-11-6-7-23(20,21)9-11/h2-5,10-11H,6-9H2,1H3,(H,16,18)/t10-,11+/m1/s1
InChIKeyGAZHRLBLUZIHCM-MNOVXSKESA-N
XLogP0.10
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388433
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 51928652
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 51928653
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 6592322
N-(dicyclopropylmethyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 24620792
N-(dicyclopropylmethyl)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 30263890
N-cyclopropyl-2-[(2R)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 95051566
N-cyclopropyl-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3155025
N-cyclopropyl-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 757970
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556722
N-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 138996511
N-butyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18132070

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide (CID 51928661) is N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide is C[C@H]1Oc2ccccc2N(CC(=O)N[C@H]2CCS(=O)(=O)C2)C1=O.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide?
The InChIKey is GAZHRLBLUZIHCM-MNOVXSKESA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-10-15(19)17(12-4-2-3-5-13(12)22-10)8-14(18)16-11-6-7-23(20,21)9-11/h2-5,10-11H,6-9H2,1H3,(H,16,18)/t10-,11+/m1/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide has a molecular weight of 338.38 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide is sourced from PubChem (CID 51928661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).