2-butyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide

C18H22N2O5S — CID 119055591

IUPAC2-butyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESCCCCC1Oc2ccc(S(=O)(=O)N(C)Cc3ccco3)cc2NC1=O
InChIInChI=1S/C18H22N2O5S/c1-3-4-7-17-18(21)19-15-11-14(8-9-16(15)25-17)26(22,23)20(2)12-13-6-5-10-24-13/h5-6,8-11,17H,3-4,7,12H2,1-2H3,(H,19,21)
InChIKeyXWYDDIMTXQYWJM-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.99
Rot. Bonds7

About 2-butyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide

2-butyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (PubChem CID 119055591) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-butyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound Name2-butyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
PubChem CID119055591
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name2-butyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESCCCCC1Oc2ccc(S(=O)(=O)N(C)Cc3ccco3)cc2NC1=O
InChIInChI=1S/C18H22N2O5S/c1-3-4-7-17-18(21)19-15-11-14(8-9-16(15)25-17)26(22,23)20(2)12-13-6-5-10-24-13/h5-6,8-11,17H,3-4,7,12H2,1-2H3,(H,19,21)
InChIKeyXWYDDIMTXQYWJM-UHFFFAOYSA-N
XLogP2.99
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-butyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide with MolForge

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Related Compounds

(2R)-2-butyl-3-oxo-4H-1,4-benzoxazine-6-sulfonyl chloride
CID 129418539
3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 43526678
(2S)-2-butyl-N-(3-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 124846419
N-(furan-2-ylmethyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43527164
2-butyl-N-(2,5-dimethylpyrazol-3-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 119055589
(2R)-6-ethylsulfonyl-2-(2-hydroxyethyl)-4H-1,4-benzoxazin-3-one
CID 7062055
N-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide
CID 3820660
N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 7510148
N-(furan-2-ylmethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 51169518
N-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49237525
N-(furan-2-ylmethyl)-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 7937948
4-(cyanomethyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 79185156

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of 2-butyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (CID 119055591) is 2-butyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for 2-butyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for 2-butyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide is CCCCC1Oc2ccc(S(=O)(=O)N(C)Cc3ccco3)cc2NC1=O.
What is the InChIKey of 2-butyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The InChIKey is XWYDDIMTXQYWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-3-4-7-17-18(21)19-15-11-14(8-9-16(15)25-17)26(22,23)20(2)12-13-6-5-10-24-13/h5-6,8-11,17H,3-4,7,12H2,1-2H3,(H,19,21).
What are the key properties of 2-butyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
2-butyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide has a molecular weight of 378.45 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 119055591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).