4-(tert-butylsulfamoyl)-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide

C22H29N3O4S — CID 55900084

IUPAC4-(tert-butylsulfamoyl)-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2CN2CCOCC2)cc1
InChIInChI=1S/C22H29N3O4S/c1-22(2,3)24-30(27,28)19-10-8-17(9-11-19)21(26)23-20-7-5-4-6-18(20)16-25-12-14-29-15-13-25/h4-11,24H,12-16H2,1-3H3,(H,23,26)
InChIKeyIFWLGIKYSWRMBF-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.85
Rot. Bonds6

About 4-(tert-butylsulfamoyl)-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide

4-(tert-butylsulfamoyl)-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide (PubChem CID 55900084) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is 4-(tert-butylsulfamoyl)-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(tert-butylsulfamoyl)-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide
PubChem CID55900084
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name4-(tert-butylsulfamoyl)-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2CN2CCOCC2)cc1
InChIInChI=1S/C22H29N3O4S/c1-22(2,3)24-30(27,28)19-10-8-17(9-11-19)21(26)23-20-7-5-4-6-18(20)16-25-12-14-29-15-13-25/h4-11,24H,12-16H2,1-3H3,(H,23,26)
InChIKeyIFWLGIKYSWRMBF-UHFFFAOYSA-N
XLogP2.85
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide
CID 55898935
2-methyl-5-methylsulfonyl-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide
CID 55899314
4-(tert-butylsulfamoyl)-N-(2,6-diethylphenyl)benzamide
CID 51310078
4-[[2-(morpholin-4-ylmethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid
CID 166295875
4-tert-butyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 9481155
N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 131919078
N-tert-butyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 100679235
2-amino-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride
CID 119859628
4-methylsulfonyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 31534702
4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-pyrazol-1-ylbenzamide
CID 46968974
1-(4-hydroxy-2-methylphenyl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 122150685
N-(2-ethylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 55613517

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfamoyl)-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide?
The IUPAC name of 4-(tert-butylsulfamoyl)-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide (CID 55900084) is 4-(tert-butylsulfamoyl)-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-(tert-butylsulfamoyl)-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide?
The canonical SMILES for 4-(tert-butylsulfamoyl)-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide is CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2CN2CCOCC2)cc1.
What is the InChIKey of 4-(tert-butylsulfamoyl)-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide?
The InChIKey is IFWLGIKYSWRMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-22(2,3)24-30(27,28)19-10-8-17(9-11-19)21(26)23-20-7-5-4-6-18(20)16-25-12-14-29-15-13-25/h4-11,24H,12-16H2,1-3H3,(H,23,26).
What are the key properties of 4-(tert-butylsulfamoyl)-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide?
4-(tert-butylsulfamoyl)-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide has a molecular weight of 431.56 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfamoyl)-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 55900084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).