N-(4-morpholin-4-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide

C20H25N3O4S — CID 26639375

IUPACN-(4-morpholin-4-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C20H25N3O4S/c1-15(2)22-28(25,26)19-5-3-4-16(14-19)20(24)21-17-6-8-18(9-7-17)23-10-12-27-13-11-23/h3-9,14-15,22H,10-13H2,1-2H3,(H,21,24)
InChIKeyHBQSJXKZKDTORN-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.46
Rot. Bonds6

About N-(4-morpholin-4-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide

N-(4-morpholin-4-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 26639375) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID26639375
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-(4-morpholin-4-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C20H25N3O4S/c1-15(2)22-28(25,26)19-5-3-4-16(14-19)20(24)21-17-6-8-18(9-7-17)23-10-12-27-13-11-23/h3-9,14-15,22H,10-13H2,1-2H3,(H,21,24)
InChIKeyHBQSJXKZKDTORN-UHFFFAOYSA-N
XLogP2.46
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide
CID 25362186
N-(4-acetamidophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26499556
3-(propan-2-ylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26698538
3-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100524251
3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014
[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate
CID 42974485
4-morpholin-4-yl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 21173992
N-(4-fluoro-3-methylphenyl)-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzamide
CID 90075200
N-[4-(azepan-1-yl)phenyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 55597646
N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081959
N-(4-acetylphenyl)-3-(butan-2-ylsulfamoyl)benzamide
CID 109062983
N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081958

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide (CID 26639375) is N-(4-morpholin-4-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is HBQSJXKZKDTORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-15(2)22-28(25,26)19-5-3-4-16(14-19)20(24)21-17-6-8-18(9-7-17)23-10-12-27-13-11-23/h3-9,14-15,22H,10-13H2,1-2H3,(H,21,24).
What are the key properties of N-(4-morpholin-4-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide?
N-(4-morpholin-4-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 403.50 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 26639375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).