N-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]phenyl]-N,4-dimethylbenzenesulfonamide

C24H24N2O4S — CID 100787859

IUPACN-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]phenyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)N3CCOc4ccccc43)cc2)cc1
InChIInChI=1S/C24H24N2O4S/c1-18-7-13-21(14-8-18)31(28,29)25(2)20-11-9-19(10-12-20)17-24(27)26-15-16-30-23-6-4-3-5-22(23)26/h3-14H,15-17H2,1-2H3
InChIKeyBNHRPLMORAKFKQ-UHFFFAOYSA-N
MW436.53 g/mol
LogP3.79
Rot. Bonds5

About N-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]phenyl]-N,4-dimethylbenzenesulfonamide

N-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]phenyl]-N,4-dimethylbenzenesulfonamide (PubChem CID 100787859) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]phenyl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]phenyl]-N,4-dimethylbenzenesulfonamide
PubChem CID100787859
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC NameN-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]phenyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)N3CCOc4ccccc43)cc2)cc1
InChIInChI=1S/C24H24N2O4S/c1-18-7-13-21(14-8-18)31(28,29)25(2)20-11-9-19(10-12-20)17-24(27)26-15-16-30-23-6-4-3-5-22(23)26/h3-14H,15-17H2,1-2H3
InChIKeyBNHRPLMORAKFKQ-UHFFFAOYSA-N
XLogP3.79
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibenzyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100788127
N-[4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]-N-methylethanesulfonamide
CID 100785453
(2S)-N-benzyl-4-[2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 100788311
(2R)-N-benzyl-4-[2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 125061921
N-methyl-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide
CID 100787738
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-methylphenyl)acetamide
CID 100787567
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(4-methylsulfonylphenyl)methyl]-4-oxobutanamide
CID 56567258
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid
CID 43440325
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-thiophen-2-ylethanone
CID 43062773
N-(4-fluorophenyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100787902
N-benzyl-N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]methanesulfonamide
CID 100794182

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]phenyl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]phenyl]-N,4-dimethylbenzenesulfonamide (CID 100787859) is N-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]phenyl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]phenyl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]phenyl]-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)N3CCOc4ccccc43)cc2)cc1.
What is the InChIKey of N-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]phenyl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is BNHRPLMORAKFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-18-7-13-21(14-8-18)31(28,29)25(2)20-11-9-19(10-12-20)17-24(27)26-15-16-30-23-6-4-3-5-22(23)26/h3-14H,15-17H2,1-2H3.
What are the key properties of N-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]phenyl]-N,4-dimethylbenzenesulfonamide?
N-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]phenyl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 436.53 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]phenyl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 100787859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).