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

C25H27N3O4S — CID 55814511

IUPACN-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-(phenylsulfamoyl)benzamide
SMILESO=C(NCc1cccc(CN2CCOCC2)c1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C25H27N3O4S/c29-25(26-18-20-5-4-6-21(17-20)19-28-13-15-32-16-14-28)22-9-11-24(12-10-22)33(30,31)27-23-7-2-1-3-8-23/h1-12,17,27H,13-16,18-19H2,(H,26,29)
InChIKeyMOHAMBRVRGKFHE-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.25
Rot. Bonds8

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

N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-(phenylsulfamoyl)benzamide (PubChem CID 55814511) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-(phenylsulfamoyl)benzamide
PubChem CID55814511
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC NameN-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-(phenylsulfamoyl)benzamide
SMILESO=C(NCc1cccc(CN2CCOCC2)c1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C25H27N3O4S/c29-25(26-18-20-5-4-6-21(17-20)19-28-13-15-32-16-14-28)22-9-11-24(12-10-22)33(30,31)27-23-7-2-1-3-8-23/h1-12,17,27H,13-16,18-19H2,(H,26,29)
InChIKeyMOHAMBRVRGKFHE-UHFFFAOYSA-N
XLogP3.25
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 28631315
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 43917914
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(morpholin-4-ylmethyl)benzamide
CID 28579825
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 94134184
4-(phenylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 2105846
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-propan-2-yloxybenzamide
CID 94134147
N-(furan-3-ylmethyl)-4-(phenylsulfamoyl)benzamide
CID 55700082
N-benzyl-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386320
4-[(4-methylphenyl)sulfonylamino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767206
4-chloro-N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 55814806
2-chloro-5-morpholin-4-ylsulfonyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 39688336

Frequently Asked Questions

What is the IUPAC name of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-(phenylsulfamoyl)benzamide?
The IUPAC name of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-(phenylsulfamoyl)benzamide (CID 55814511) is N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-(phenylsulfamoyl)benzamide is O=C(NCc1cccc(CN2CCOCC2)c1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-(phenylsulfamoyl)benzamide?
The InChIKey is MOHAMBRVRGKFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c29-25(26-18-20-5-4-6-21(17-20)19-28-13-15-32-16-14-28)22-9-11-24(12-10-22)33(30,31)27-23-7-2-1-3-8-23/h1-12,17,27H,13-16,18-19H2,(H,26,29).
What are the key properties of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-(phenylsulfamoyl)benzamide?
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-(phenylsulfamoyl)benzamide has a molecular weight of 465.58 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 55814511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).