3-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide

C24H25N3O4S — CID 28631315

IUPAC3-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C24H25N3O4S/c28-24(20-6-4-5-19(17-20)18-27-13-15-31-16-14-27)25-21-9-11-23(12-10-21)32(29,30)26-22-7-2-1-3-8-22/h1-12,17,26H,13-16,18H2,(H,25,28)
InChIKeyKRNSECMGDVMZHM-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.57
Rot. Bonds7

About 3-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide

3-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide (PubChem CID 28631315) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
PubChem CID28631315
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name3-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C24H25N3O4S/c28-24(20-6-4-5-19(17-20)18-27-13-15-31-16-14-27)25-21-9-11-23(12-10-21)32(29,30)26-22-7-2-1-3-8-22/h1-12,17,26H,13-16,18H2,(H,25,28)
InChIKeyKRNSECMGDVMZHM-UHFFFAOYSA-N
XLogP3.57
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(morpholin-4-ylmethyl)benzamide
CID 28579825
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(morpholin-4-ylmethyl)benzamide
CID 92646826
3-(benzenesulfonamido)-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide
CID 55976882
N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-3-(morpholin-4-ylmethyl)benzamide
CID 92683706
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-(phenylsulfamoyl)benzamide
CID 55814511
4-morpholin-4-yl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 21173992
N-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 46769268
N-[4-(1-adamantyl)phenyl]-3-(morpholin-4-ylmethyl)benzamide
CID 38016726
N-(4-acetamidophenyl)-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide
CID 43924269
3-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371
N-[3-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 78804636
butyl 4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
CID 46764701

Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide (CID 28631315) is 3-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccc(CN2CCOCC2)c1.
What is the InChIKey of 3-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The InChIKey is KRNSECMGDVMZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c28-24(20-6-4-5-19(17-20)18-27-13-15-31-16-14-27)25-21-9-11-23(12-10-21)32(29,30)26-22-7-2-1-3-8-22/h1-12,17,26H,13-16,18H2,(H,25,28).
What are the key properties of 3-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide?
3-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide has a molecular weight of 451.55 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 28631315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).