N-(2,5-dimethylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide

C20H24N2O5S — CID 1261140

IUPACN-(2,5-dimethylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C20H24N2O5S/c1-15-3-4-16(2)19(13-15)21-28(24,25)18-7-5-17(6-8-18)27-14-20(23)22-9-11-26-12-10-22/h3-8,13,21H,9-12,14H2,1-2H3
InChIKeyADKPIDZZDYQITM-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.34
Rot. Bonds6

About N-(2,5-dimethylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide

N-(2,5-dimethylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide (PubChem CID 1261140) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
PubChem CID1261140
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC NameN-(2,5-dimethylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C20H24N2O5S/c1-15-3-4-16(2)19(13-15)21-28(24,25)18-7-5-17(6-8-18)27-14-20(23)22-9-11-26-12-10-22/h3-8,13,21H,9-12,14H2,1-2H3
InChIKeyADKPIDZZDYQITM-UHFFFAOYSA-N
XLogP2.34
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-{4-[(isopropylamino)sulfonyl]phenoxy}-N-1-naphthylacetamide
CID 1314065
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 3647605
N-(1-Acetyl-1,2,3,4-tetrahydroquinolin-7-YL)-4-ethoxybenzene-1-sulfonamide
CID 7517554
4-Ethoxy-N-[2-(morpholine-4-carbonyl)-phenyl]-benzenesulfonamide
CID 1090677
N-(2-fluorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6457540
N-(2,5-Dimethyl-phenyl)-2-(4-methoxy-benzenesulfonylamino)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-acetamide
CID 644685
N-benzyl-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
CID 1008028
2-(4-ethylphenoxy)-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide
CID 1014119
4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-N-(propan-2-yl)benzenesulfonamide
CID 1084702
N-Benzyl-4-(2-morpholin-4-yl-2-oxo-ethoxy)-benzenesulfonamide
CID 1088524
N-Benzyl-N-methyl-4-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethoxy]-benzenesulfonamide
CID 1092878
4-(2-Morpholin-4-yl-2-oxo-ethoxy)-N-p-tolyl-benzenesulfonamide
CID 1092897

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide (CID 1261140) is N-(2,5-dimethylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide is Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide?
The InChIKey is ADKPIDZZDYQITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-15-3-4-16(2)19(13-15)21-28(24,25)18-7-5-17(6-8-18)27-14-20(23)22-9-11-26-12-10-22/h3-8,13,21H,9-12,14H2,1-2H3.
What are the key properties of N-(2,5-dimethylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide?
N-(2,5-dimethylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide has a molecular weight of 404.49 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide is sourced from PubChem (CID 1261140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).