N-(4-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide

C19H22N2O5S — CID 1092897

IUPACN-(4-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-15-2-4-16(5-3-15)20-27(23,24)18-8-6-17(7-9-18)26-14-19(22)21-10-12-25-13-11-21/h2-9,20H,10-14H2,1H3
InChIKeyBTDKTUBPVBEYGA-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.03
Rot. Bonds6

About N-(4-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide

N-(4-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide (PubChem CID 1092897) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
PubChem CID1092897
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-(4-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-15-2-4-16(5-3-15)20-27(23,24)18-8-6-17(7-9-18)26-14-19(22)21-10-12-25-13-11-21/h2-9,20H,10-14H2,1H3
InChIKeyBTDKTUBPVBEYGA-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 4916033
3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 4916035
N,7-dimethyl-3-oxo-N-phenyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 5295635
N-[4-(4-Methanesulfonyl-piperazin-1-yl)-phenyl]-2-o-tolyloxy-acetamide
CID 655939
2-(2-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2087429
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 3647605
N,2,2-trimethyl-N-[4-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethoxy]phenyl]propanamide
CID 4047705
2-(4-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4668478
N-[[4-[(2-methoxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]methyl]acetamide
CID 4689808
(E)-3-(4-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6160149
N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615773
4-(dimethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 1277944

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide?
The IUPAC name of N-(4-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide (CID 1092897) is N-(4-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide?
The canonical SMILES for N-(4-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide?
The InChIKey is BTDKTUBPVBEYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-15-2-4-16(5-3-15)20-27(23,24)18-8-6-17(7-9-18)26-14-19(22)21-10-12-25-13-11-21/h2-9,20H,10-14H2,1H3.
What are the key properties of N-(4-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide?
N-(4-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide has a molecular weight of 390.46 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide is sourced from PubChem (CID 1092897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).