N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide

C19H23N3O5S — CID 55540133

IUPACN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESO=C1COc2ccc(S(=O)(=O)NCC(c3ccco3)N3CCCCC3)cc2N1
InChIInChI=1S/C19H23N3O5S/c23-19-13-27-17-7-6-14(11-15(17)21-19)28(24,25)20-12-16(18-5-4-10-26-18)22-8-2-1-3-9-22/h4-7,10-11,16,20H,1-3,8-9,12-13H2,(H,21,23)
InChIKeyKUQVTOKONDVKEY-UHFFFAOYSA-N
MW405.48 g/mol
LogP2.12
Rot. Bonds6

About N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (PubChem CID 55540133) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
PubChem CID55540133
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESO=C1COc2ccc(S(=O)(=O)NCC(c3ccco3)N3CCCCC3)cc2N1
InChIInChI=1S/C19H23N3O5S/c23-19-13-27-17-7-6-14(11-15(17)21-19)28(24,25)20-12-16(18-5-4-10-26-18)22-8-2-1-3-9-22/h4-7,10-11,16,20H,1-3,8-9,12-13H2,(H,21,23)
InChIKeyKUQVTOKONDVKEY-UHFFFAOYSA-N
XLogP2.12
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide with MolForge

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Related Compounds

3-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4H-1,4-benzoxazine-6-sulfonamide
CID 55533528
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 51169408
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylsulfonylbenzenesulfonamide
CID 55559240
N-(2-aminobutyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 63732434
N-ethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 15943400
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide
CID 51076118
2-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methylsulfonylbenzenesulfonamide
CID 47070129
N-[2-(methylamino)ethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 62658542
N-[4-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 2468130
methyl 3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]benzoate
CID 47019084
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 30717095
4-[[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 124705074

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (CID 55540133) is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide is O=C1COc2ccc(S(=O)(=O)NCC(c3ccco3)N3CCCCC3)cc2N1.
What is the InChIKey of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The InChIKey is KUQVTOKONDVKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c23-19-13-27-17-7-6-14(11-15(17)21-19)28(24,25)20-12-16(18-5-4-10-26-18)22-8-2-1-3-9-22/h4-7,10-11,16,20H,1-3,8-9,12-13H2,(H,21,23).
What are the key properties of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide has a molecular weight of 405.48 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 55540133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).