N-methoxy-2-[[4-(4-methylsulfonylphenoxy)phenyl]sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide

C22H27N3O9S2 — CID 142260133

IUPACN-methoxy-2-[[4-(4-methylsulfonylphenoxy)phenyl]sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
SMILESCONC(=O)CN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C22H27N3O9S2/c1-32-23-21(26)15-25(16-22(27)24-11-13-33-14-12-24)36(30,31)20-9-5-18(6-10-20)34-17-3-7-19(8-4-17)35(2,28)29/h3-10H,11-16H2,1-2H3,(H,23,26)
InChIKeyZRXWMOASCSDQPO-UHFFFAOYSA-N
MW541.60 g/mol
LogP0.41
Rot. Bonds10

About N-methoxy-2-[[4-(4-methylsulfonylphenoxy)phenyl]sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide

N-methoxy-2-[[4-(4-methylsulfonylphenoxy)phenyl]sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide (PubChem CID 142260133) has the molecular formula C22H27N3O9S2 and a molecular weight of 541.60 g/mol. Its IUPAC name is N-methoxy-2-[[4-(4-methylsulfonylphenoxy)phenyl]sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide.

Molecular Properties

Compound NameN-methoxy-2-[[4-(4-methylsulfonylphenoxy)phenyl]sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
PubChem CID142260133
Molecular FormulaC22H27N3O9S2
Molecular Weight541.60 g/mol
Exact Mass541.12
IUPAC NameN-methoxy-2-[[4-(4-methylsulfonylphenoxy)phenyl]sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
SMILESCONC(=O)CN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C22H27N3O9S2/c1-32-23-21(26)15-25(16-22(27)24-11-13-33-14-12-24)36(30,31)20-9-5-18(6-10-20)34-17-3-7-19(8-4-17)35(2,28)29/h3-10H,11-16H2,1-2H3,(H,23,26)
InChIKeyZRXWMOASCSDQPO-UHFFFAOYSA-N
XLogP0.41
TPSA148.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.60
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetic acid
CID 56694556
2-(4-methylsulfonylanilino)-1-morpholin-4-ylethanone
CID 28579517
N-ethenyl-N-[2-[[4-(4-fluorophenoxy)phenyl]sulfonyl-[2-(hydroxyamino)-2-oxoethyl]amino]ethyl]morpholine-4-carboxamide
CID 144574208
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 45372972
4-methyl-N-[(3-methylphenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 1305731
N-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methoxybenzenesulfonamide
CID 45372155
2,5-dimethoxy-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 1022064
4-bromo-N-[(2,4-dichlorophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 21373020
N-(2-methoxyphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 1163324
2-[3-(diethylamino)propyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 3185266
4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-N-phenylbenzenesulfonamide
CID 4525809
N-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 60700799

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-[[4-(4-methylsulfonylphenoxy)phenyl]sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide?
The IUPAC name of N-methoxy-2-[[4-(4-methylsulfonylphenoxy)phenyl]sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide (CID 142260133) is N-methoxy-2-[[4-(4-methylsulfonylphenoxy)phenyl]sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide.
What is the SMILES notation for N-methoxy-2-[[4-(4-methylsulfonylphenoxy)phenyl]sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide?
The canonical SMILES for N-methoxy-2-[[4-(4-methylsulfonylphenoxy)phenyl]sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide is CONC(=O)CN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-methoxy-2-[[4-(4-methylsulfonylphenoxy)phenyl]sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide?
The InChIKey is ZRXWMOASCSDQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O9S2/c1-32-23-21(26)15-25(16-22(27)24-11-13-33-14-12-24)36(30,31)20-9-5-18(6-10-20)34-17-3-7-19(8-4-17)35(2,28)29/h3-10H,11-16H2,1-2H3,(H,23,26).
What are the key properties of N-methoxy-2-[[4-(4-methylsulfonylphenoxy)phenyl]sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide?
N-methoxy-2-[[4-(4-methylsulfonylphenoxy)phenyl]sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide has a molecular weight of 541.60 g/mol, XLogP of 0.41, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-[[4-(4-methylsulfonylphenoxy)phenyl]sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide is sourced from PubChem (CID 142260133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).