N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide

C22H30N4O4S2 — CID 55667277

IUPACN-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCc1cccnc1
InChIInChI=1S/C22H30N4O4S2/c1-3-25(4-2)21-8-7-19(32(28,29)26-10-12-30-13-11-26)14-20(21)24-22(27)17-31-16-18-6-5-9-23-15-18/h5-9,14-15H,3-4,10-13,16-17H2,1-2H3,(H,24,27)
InChIKeyBOUOKRWVJICKQY-UHFFFAOYSA-N
MW478.64 g/mol
LogP2.82
Rot. Bonds10

About N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide

N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide (PubChem CID 55667277) has the molecular formula C22H30N4O4S2 and a molecular weight of 478.64 g/mol. Its IUPAC name is N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
PubChem CID55667277
Molecular FormulaC22H30N4O4S2
Molecular Weight478.64 g/mol
Exact Mass478.17
IUPAC NameN-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCc1cccnc1
InChIInChI=1S/C22H30N4O4S2/c1-3-25(4-2)21-8-7-19(32(28,29)26-10-12-30-13-11-26)14-20(21)24-22(27)17-31-16-18-6-5-9-23-15-18/h5-9,14-15H,3-4,10-13,16-17H2,1-2H3,(H,24,27)
InChIKeyBOUOKRWVJICKQY-UHFFFAOYSA-N
XLogP2.82
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55667081
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 42965288
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55667278
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 30345312
2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 29194893
2-(benzotriazol-1-yl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 55370605
N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-propylsulfanylacetamide
CID 55876228
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-(2-fluorophenyl)propanamide
CID 55363274
2,2-dichloro-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-1-methylcyclopropane-1-carboxamide
CID 43004744
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(4-methylphenoxy)acetamide
CID 30587504
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 29431549
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylpropanamide
CID 46796637

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide (CID 55667277) is N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide is CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCc1cccnc1.
What is the InChIKey of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The InChIKey is BOUOKRWVJICKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4S2/c1-3-25(4-2)21-8-7-19(32(28,29)26-10-12-30-13-11-26)14-20(21)24-22(27)17-31-16-18-6-5-9-23-15-18/h5-9,14-15H,3-4,10-13,16-17H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide has a molecular weight of 478.64 g/mol, XLogP of 2.82, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 55667277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).