N-benzyl-4-(methylsulfamoyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide

C22H29N3O4S — CID 56501661

IUPACN-benzyl-4-(methylsulfamoyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)C(C)CN2CCOCC2)cc1
InChIInChI=1S/C22H29N3O4S/c1-18(16-24-12-14-29-15-13-24)25(17-19-6-4-3-5-7-19)22(26)20-8-10-21(11-9-20)30(27,28)23-2/h3-11,18,23H,12-17H2,1-2H3
InChIKeyATAJTWMJVNDTHG-UHFFFAOYSA-N
MW431.56 g/mol
LogP1.96
Rot. Bonds8

About N-benzyl-4-(methylsulfamoyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide

N-benzyl-4-(methylsulfamoyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide (PubChem CID 56501661) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-benzyl-4-(methylsulfamoyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-(methylsulfamoyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
PubChem CID56501661
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN-benzyl-4-(methylsulfamoyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)C(C)CN2CCOCC2)cc1
InChIInChI=1S/C22H29N3O4S/c1-18(16-24-12-14-29-15-13-24)25(17-19-6-4-3-5-7-19)22(26)20-8-10-21(11-9-20)30(27,28)23-2/h3-11,18,23H,12-17H2,1-2H3
InChIKeyATAJTWMJVNDTHG-UHFFFAOYSA-N
XLogP1.96
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-(methylsulfonylmethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56500850
N-benzyl-3-chloro-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56501396
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-(4-sulfamoylphenyl)acetamide
CID 56581067
N-benzyl-4-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)butanamide
CID 119877069
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 56500710
N-benzyl-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 56500963
2-amino-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 119877071
N-benzyl-1-(3-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4-carboxamide
CID 56500434
N-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-6-propan-2-yloxypyridine-3-carboxamide
CID 56501228
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-phenoxypropanamide
CID 56500998
N-benzyl-N-butan-2-yl-4-(ethylsulfamoyl)benzamide
CID 56536430
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 56501654

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(methylsulfamoyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
The IUPAC name of N-benzyl-4-(methylsulfamoyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide (CID 56501661) is N-benzyl-4-(methylsulfamoyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide.
What is the SMILES notation for N-benzyl-4-(methylsulfamoyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
The canonical SMILES for N-benzyl-4-(methylsulfamoyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide is CNS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)C(C)CN2CCOCC2)cc1.
What is the InChIKey of N-benzyl-4-(methylsulfamoyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
The InChIKey is ATAJTWMJVNDTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-18(16-24-12-14-29-15-13-24)25(17-19-6-4-3-5-7-19)22(26)20-8-10-21(11-9-20)30(27,28)23-2/h3-11,18,23H,12-17H2,1-2H3.
What are the key properties of N-benzyl-4-(methylsulfamoyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
N-benzyl-4-(methylsulfamoyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide has a molecular weight of 431.56 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(methylsulfamoyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide is sourced from PubChem (CID 56501661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).