N-[3-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide

C23H31N3O7S — CID 4847534

IUPACN-[3-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1cc(NC(C)=O)ccc1OC
InChIInChI=1S/C23H31N3O7S/c1-5-32-21-15-19(26-9-11-31-12-10-26)22(33-6-2)14-18(21)25-34(28,29)23-13-17(24-16(3)27)7-8-20(23)30-4/h7-8,13-15,25H,5-6,9-12H2,1-4H3,(H,24,27)
InChIKeyMGEUVJZNEDBNAB-UHFFFAOYSA-N
MW493.58 g/mol
LogP3.09
Rot. Bonds10

About N-[3-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide

N-[3-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide (PubChem CID 4847534) has the molecular formula C23H31N3O7S and a molecular weight of 493.58 g/mol. Its IUPAC name is N-[3-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
PubChem CID4847534
Molecular FormulaC23H31N3O7S
Molecular Weight493.58 g/mol
Exact Mass493.19
IUPAC NameN-[3-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1cc(NC(C)=O)ccc1OC
InChIInChI=1S/C23H31N3O7S/c1-5-32-21-15-19(26-9-11-31-12-10-26)22(33-6-2)14-18(21)25-34(28,29)23-13-17(24-16(3)27)7-8-20(23)30-4/h7-8,13-15,25H,5-6,9-12H2,1-4H3,(H,24,27)
InChIKeyMGEUVJZNEDBNAB-UHFFFAOYSA-N
XLogP3.09
TPSA115.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.58
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide
CID 3667102
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide
CID 2747437
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-difluorobenzenesulfonamide
CID 25040469
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)thiophene-2-sulfonamide
CID 3691440
methyl 5-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-2-hydroxybenzoate
CID 55879787
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 21008110
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-methoxy-4-methylbenzamide
CID 26690586
N-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26952518
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide
CID 9079407
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 26413933
3,4-dichloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide
CID 4853152
3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 46292427

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide (CID 4847534) is N-[3-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1cc(NC(C)=O)ccc1OC.
What is the InChIKey of N-[3-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide?
The InChIKey is MGEUVJZNEDBNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O7S/c1-5-32-21-15-19(26-9-11-31-12-10-26)22(33-6-2)14-18(21)25-34(28,29)23-13-17(24-16(3)27)7-8-20(23)30-4/h7-8,13-15,25H,5-6,9-12H2,1-4H3,(H,24,27).
What are the key properties of N-[3-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide?
N-[3-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide has a molecular weight of 493.58 g/mol, XLogP of 3.09, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 4847534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).