2-(2-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide

C25H26FN3O5S — CID 3933606

IUPAC2-(2-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)Cc3ccccc3F)ccc2N2CCOCC2)cc1
InChIInChI=1S/C25H26FN3O5S/c1-33-21-9-6-19(7-10-21)28-35(31,32)24-17-20(8-11-23(24)29-12-14-34-15-13-29)27-25(30)16-18-4-2-3-5-22(18)26/h2-11,17,28H,12-16H2,1H3,(H,27,30)
InChIKeyFFRZGUJMSQLGHS-UHFFFAOYSA-N
MW499.56 g/mol
LogP3.65
Rot. Bonds8

About 2-(2-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide

2-(2-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide (PubChem CID 3933606) has the molecular formula C25H26FN3O5S and a molecular weight of 499.56 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide
PubChem CID3933606
Molecular FormulaC25H26FN3O5S
Molecular Weight499.56 g/mol
Exact Mass499.16
IUPAC Name2-(2-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)Cc3ccccc3F)ccc2N2CCOCC2)cc1
InChIInChI=1S/C25H26FN3O5S/c1-33-21-9-6-19(7-10-21)28-35(31,32)24-17-20(8-11-23(24)29-12-14-34-15-13-29)27-25(30)16-18-4-2-3-5-22(18)26/h2-11,17,28H,12-16H2,1H3,(H,27,30)
InChIKeyFFRZGUJMSQLGHS-UHFFFAOYSA-N
XLogP3.65
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.56
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 35155544
3-(3,4-dimethoxyphenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]propanamide
CID 4849988
2-(4-chlorophenyl)-N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide
CID 4831172
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-methylthiophene-2-carboxamide
CID 4834938
2-(3,4-dimethoxyphenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]acetamide
CID 4853933
2-chloro-N-[3-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylanilino]-3-oxopropyl]benzamide
CID 4831082
N-(3-fluoro-4-morpholin-4-ylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 3728936
3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]benzamide
CID 4021155
1-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-phenylurea
CID 4185237
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 22109680
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]acetamide
CID 3948396
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 4265009

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide (CID 3933606) is 2-(2-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)Cc3ccccc3F)ccc2N2CCOCC2)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide?
The InChIKey is FFRZGUJMSQLGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O5S/c1-33-21-9-6-19(7-10-21)28-35(31,32)24-17-20(8-11-23(24)29-12-14-34-15-13-29)27-25(30)16-18-4-2-3-5-22(18)26/h2-11,17,28H,12-16H2,1H3,(H,27,30).
What are the key properties of 2-(2-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide?
2-(2-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide has a molecular weight of 499.56 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide is sourced from PubChem (CID 3933606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).