N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide

C22H25N3O6S — CID 30487868

IUPACN-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H25N3O6S/c1-2-30-18-9-7-16(13-20(18)32(28,29)25-10-4-3-5-11-25)23-22(27)15-6-8-17-19(12-15)31-14-21(26)24-17/h6-9,12-13H,2-5,10-11,14H2,1H3,(H,23,27)(H,24,26)
InChIKeyXBOKBFZPEZLVQQ-UHFFFAOYSA-N
MW459.52 g/mol
LogP2.84
Rot. Bonds6

About N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide

N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide (PubChem CID 30487868) has the molecular formula C22H25N3O6S and a molecular weight of 459.52 g/mol. Its IUPAC name is N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
PubChem CID30487868
Molecular FormulaC22H25N3O6S
Molecular Weight459.52 g/mol
Exact Mass459.15
IUPAC NameN-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H25N3O6S/c1-2-30-18-9-7-16(13-20(18)32(28,29)25-10-4-3-5-11-25)23-22(27)15-6-8-17-19(12-15)31-14-21(26)24-17/h6-9,12-13H,2-5,10-11,14H2,1H3,(H,23,27)(H,24,26)
InChIKeyXBOKBFZPEZLVQQ-UHFFFAOYSA-N
XLogP2.84
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide
CID 9390241
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 26189255
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide
CID 26795599
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-fluorobenzamide
CID 7589957
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methoxybenzamide
CID 7589948
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-(methoxymethyl)benzamide
CID 8624161
4-chloro-N-(3,4-diethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 42090593
2-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide
CID 32696205
4-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-nitrobenzamide
CID 25445526
3,4-dimethoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26174301
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-phenylmethoxypyridine-4-carboxamide
CID 55996590
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 55517655

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The IUPAC name of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide (CID 30487868) is N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide is CCOc1ccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The InChIKey is XBOKBFZPEZLVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6S/c1-2-30-18-9-7-16(13-20(18)32(28,29)25-10-4-3-5-11-25)23-22(27)15-6-8-17-19(12-15)31-14-21(26)24-17/h6-9,12-13H,2-5,10-11,14H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide has a molecular weight of 459.52 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 30487868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).