N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-propan-2-ylsulfanylacetamide

C19H31N3O4S2 — CID 30841717

IUPACN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-propan-2-ylsulfanylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CSC(C)C)c1
InChIInChI=1S/C19H31N3O4S2/c1-5-22(6-2)28(24,25)16-7-8-18(21-9-11-26-12-10-21)17(13-16)20-19(23)14-27-15(3)4/h7-8,13,15H,5-6,9-12,14H2,1-4H3,(H,20,23)
InChIKeyLXQGJOXYSNMMFB-UHFFFAOYSA-N
MW429.61 g/mol
LogP2.63
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-propan-2-ylsulfanylacetamide

N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-propan-2-ylsulfanylacetamide (PubChem CID 30841717) has the molecular formula C19H31N3O4S2 and a molecular weight of 429.61 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-propan-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-propan-2-ylsulfanylacetamide
PubChem CID30841717
Molecular FormulaC19H31N3O4S2
Molecular Weight429.61 g/mol
Exact Mass429.18
IUPAC NameN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-propan-2-ylsulfanylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CSC(C)C)c1
InChIInChI=1S/C19H31N3O4S2/c1-5-22(6-2)28(24,25)16-7-8-18(21-9-11-26-12-10-21)17(13-16)20-19(23)14-27-15(3)4/h7-8,13,15H,5-6,9-12,14H2,1-4H3,(H,20,23)
InChIKeyLXQGJOXYSNMMFB-UHFFFAOYSA-N
XLogP2.63
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.61
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,3-dimethylbutanamide
CID 3602856
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-methoxyacetamide
CID 24656898
3-cyclohexyl-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]propanamide
CID 3510468
(2E,4E)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]hexa-2,4-dienamide
CID 18168362
N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 27828142
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-phenylprop-2-enamide
CID 4797773
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 16546078
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]oxane-4-carboxamide
CID 30970754
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 4856797
2-(4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]propanamide
CID 16546080
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55667323
2-amino-N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 119829594

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-propan-2-ylsulfanylacetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-propan-2-ylsulfanylacetamide (CID 30841717) is N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-propan-2-ylsulfanylacetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-propan-2-ylsulfanylacetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-propan-2-ylsulfanylacetamide is CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CSC(C)C)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-propan-2-ylsulfanylacetamide?
The InChIKey is LXQGJOXYSNMMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4S2/c1-5-22(6-2)28(24,25)16-7-8-18(21-9-11-26-12-10-21)17(13-16)20-19(23)14-27-15(3)4/h7-8,13,15H,5-6,9-12,14H2,1-4H3,(H,20,23).
What are the key properties of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-propan-2-ylsulfanylacetamide?
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-propan-2-ylsulfanylacetamide has a molecular weight of 429.61 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-propan-2-ylsulfanylacetamide is sourced from PubChem (CID 30841717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).