2-methoxy-5-methyl-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzenesulfonamide

C19H22N2O5S — CID 110404885

IUPAC2-methoxy-5-methyl-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCC1Oc2ccccc2N(C)C1=O
InChIInChI=1S/C19H22N2O5S/c1-13-8-9-16(25-3)18(12-13)27(23,24)20-11-10-17-19(22)21(2)14-6-4-5-7-15(14)26-17/h4-9,12,17,20H,10-11H2,1-3H3
InChIKeyMPZXGQQBBSGGKY-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.10
Rot. Bonds6

About 2-methoxy-5-methyl-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzenesulfonamide

2-methoxy-5-methyl-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzenesulfonamide (PubChem CID 110404885) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzenesulfonamide
PubChem CID110404885
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name2-methoxy-5-methyl-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCC1Oc2ccccc2N(C)C1=O
InChIInChI=1S/C19H22N2O5S/c1-13-8-9-16(25-3)18(12-13)27(23,24)20-11-10-17-19(22)21(2)14-6-4-5-7-15(14)26-17/h4-9,12,17,20H,10-11H2,1-3H3
InChIKeyMPZXGQQBBSGGKY-UHFFFAOYSA-N
XLogP2.10
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-5-methyl-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzenesulfonamide with MolForge

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Related Compounds

N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]methanesulfonamide
CID 110404866
4-methoxy-2-methyl-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide
CID 110404573
3-chloro-4-methoxy-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide
CID 110404586
N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-nitrobenzenesulfonamide
CID 110404908
N-(3-aminobutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 55169894
2-methoxy-5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 42226764
2-methoxy-5-methyl-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
CID 110710426
2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 967907
2-methoxy-5-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide
CID 110601340
2-methoxy-5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824169
N-but-3-ynyl-2-methoxy-5-methylbenzenesulfonamide
CID 90537993
N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113085626

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzenesulfonamide (CID 110404885) is 2-methoxy-5-methyl-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NCCC1Oc2ccccc2N(C)C1=O.
What is the InChIKey of 2-methoxy-5-methyl-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzenesulfonamide?
The InChIKey is MPZXGQQBBSGGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-13-8-9-16(25-3)18(12-13)27(23,24)20-11-10-17-19(22)21(2)14-6-4-5-7-15(14)26-17/h4-9,12,17,20H,10-11H2,1-3H3.
What are the key properties of 2-methoxy-5-methyl-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzenesulfonamide?
2-methoxy-5-methyl-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzenesulfonamide has a molecular weight of 390.46 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110404885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).