N-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-methylsulfonylpiperidine-4-carboxamide

C17H23N3O7S2 — CID 132767171

IUPACN-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1cc2c(cc1S(=O)(=O)NC(=O)C1CCN(S(C)(=O)=O)CC1)OC(C)C(=O)N2
InChIInChI=1S/C17H23N3O7S2/c1-10-8-13-14(27-11(2)16(21)18-13)9-15(10)29(25,26)19-17(22)12-4-6-20(7-5-12)28(3,23)24/h8-9,11-12H,4-7H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyQRHDMYYUZHMRGS-UHFFFAOYSA-N
MW445.52 g/mol
LogP0.19
Rot. Bonds4

About N-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 132767171) has the molecular formula C17H23N3O7S2 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID132767171
Molecular FormulaC17H23N3O7S2
Molecular Weight445.52 g/mol
Exact Mass445.10
IUPAC NameN-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1cc2c(cc1S(=O)(=O)NC(=O)C1CCN(S(C)(=O)=O)CC1)OC(C)C(=O)N2
InChIInChI=1S/C17H23N3O7S2/c1-10-8-13-14(27-11(2)16(21)18-13)9-15(10)29(25,26)19-17(22)12-4-6-20(7-5-12)28(3,23)24/h8-9,11-12H,4-7H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyQRHDMYYUZHMRGS-UHFFFAOYSA-N
XLogP0.19
TPSA138.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-methylsulfonylpiperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 46288883
1-[[(2S)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl]sulfonyl]-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
CID 92865876
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 16606132
(2R)-2,6-dimethyl-7-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 92866037
(2S)-2,6-dimethyl-7-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 92866036
(2R)-2,6-dimethyl-7-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 92865911
1-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide
CID 46288910
1-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N,N-dipropylpiperidine-4-carboxamide
CID 50764833
1-[[(2S)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl]sulfonyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 92866022
2,6-dimethyl-3-oxo-N-(2-oxo-2-piperidin-1-ylethyl)-4H-1,4-benzoxazine-7-sulfonamide
CID 171133646
4,4-difluoro-N-[(6-methyl-3-oxo-2-propan-2-yl-4H-1,4-benzoxazin-7-yl)sulfonyl]cyclohexane-1-carboxamide
CID 132766788
7-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-2,6-dimethyl-4H-1,4-benzoxazin-3-one
CID 46288907

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 132767171) is N-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-methylsulfonylpiperidine-4-carboxamide is Cc1cc2c(cc1S(=O)(=O)NC(=O)C1CCN(S(C)(=O)=O)CC1)OC(C)C(=O)N2.
What is the InChIKey of N-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is QRHDMYYUZHMRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O7S2/c1-10-8-13-14(27-11(2)16(21)18-13)9-15(10)29(25,26)19-17(22)12-4-6-20(7-5-12)28(3,23)24/h8-9,11-12H,4-7H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 132767171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).