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

C18H20N2O5S — CID 110404573

IUPAC4-methoxy-2-methyl-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2Oc3ccccc3N(C)C2=O)c(C)c1
InChIInChI=1S/C18H20N2O5S/c1-12-10-13(24-3)8-9-17(12)26(22,23)19-11-16-18(21)20(2)14-6-4-5-7-15(14)25-16/h4-10,16,19H,11H2,1-3H3
InChIKeyUKXKKYJGODLJJZ-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.71
Rot. Bonds5

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

4-methoxy-2-methyl-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide (PubChem CID 110404573) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide
PubChem CID110404573
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name4-methoxy-2-methyl-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2Oc3ccccc3N(C)C2=O)c(C)c1
InChIInChI=1S/C18H20N2O5S/c1-12-10-13(24-3)8-9-17(12)26(22,23)19-11-16-18(21)20(2)14-6-4-5-7-15(14)25-16/h4-10,16,19H,11H2,1-3H3
InChIKeyUKXKKYJGODLJJZ-UHFFFAOYSA-N
XLogP1.71
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-methoxy-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide
CID 110404586
N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]thiophene-2-sulfonamide
CID 110404582
2-methoxy-5-methyl-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzenesulfonamide
CID 110404885
2,4-dimethoxy-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide
CID 110404413
4-methoxy-2-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110736436
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110396500
4-[[(4-methoxy-2-methylphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 122161855
N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]methanesulfonamide
CID 110404866
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
N-[2-(2-hydroxyphenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110605307
N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 75386776
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethoxybenzenesulfonamide
CID 51169117

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide (CID 110404573) is 4-methoxy-2-methyl-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCC2Oc3ccccc3N(C)C2=O)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide?
The InChIKey is UKXKKYJGODLJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-12-10-13(24-3)8-9-17(12)26(22,23)19-11-16-18(21)20(2)14-6-4-5-7-15(14)25-16/h4-10,16,19H,11H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide?
4-methoxy-2-methyl-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide has a molecular weight of 376.43 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110404573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).