2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide

C15H18N2O5S — CID 9148036

IUPAC2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
SMILESC[C@H]1Oc2ccc(NC(=O)C[C@@H]3CCS(=O)(=O)C3)cc2NC1=O
InChIInChI=1S/C15H18N2O5S/c1-9-15(19)17-12-7-11(2-3-13(12)22-9)16-14(18)6-10-4-5-23(20,21)8-10/h2-3,7,9-10H,4-6,8H2,1H3,(H,16,18)(H,17,19)/t9-,10+/m1/s1
InChIKeyVDXKORBGWGNARE-ZJUUUORDSA-N
MW338.38 g/mol
LogP1.17
Rot. Bonds3

About 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide

2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide (PubChem CID 9148036) has the molecular formula C15H18N2O5S and a molecular weight of 338.38 g/mol. Its IUPAC name is 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
PubChem CID9148036
Molecular FormulaC15H18N2O5S
Molecular Weight338.38 g/mol
Exact Mass338.09
IUPAC Name2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
SMILESC[C@H]1Oc2ccc(NC(=O)C[C@@H]3CCS(=O)(=O)C3)cc2NC1=O
InChIInChI=1S/C15H18N2O5S/c1-9-15(19)17-12-7-11(2-3-13(12)22-9)16-14(18)6-10-4-5-23(20,21)8-10/h2-3,7,9-10H,4-6,8H2,1H3,(H,16,18)(H,17,19)/t9-,10+/m1/s1
InChIKeyVDXKORBGWGNARE-ZJUUUORDSA-N
XLogP1.17
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 42506170
N-(1,3-benzodioxol-5-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 9042682
3-(cyclopropylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 60867993
N-(3,4-dimethylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7115987
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]cyclopropanecarboxamide
CID 9146242
3,5-dimethyl-N-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide
CID 26002088
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide
CID 60843067
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(prop-2-enylamino)acetamide
CID 79284913
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]cyclopentanecarboxamide
CID 9145093
1-cyclopropyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea
CID 45029596
N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18126600

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide?
The IUPAC name of 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide (CID 9148036) is 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide.
What is the SMILES notation for 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide?
The canonical SMILES for 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide is C[C@H]1Oc2ccc(NC(=O)C[C@@H]3CCS(=O)(=O)C3)cc2NC1=O.
What is the InChIKey of 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide?
The InChIKey is VDXKORBGWGNARE-ZJUUUORDSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-9-15(19)17-12-7-11(2-3-13(12)22-9)16-14(18)6-10-4-5-23(20,21)8-10/h2-3,7,9-10H,4-6,8H2,1H3,(H,16,18)(H,17,19)/t9-,10+/m1/s1.
What are the key properties of 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide?
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide has a molecular weight of 338.38 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide is sourced from PubChem (CID 9148036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).