N-[1-(1-benzofuran-2-yl)ethyl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide

C24H29N3O4S — CID 16563524

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
SMILESCC(NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1)c1cc2ccccc2o1
InChIInChI=1S/C24H29N3O4S/c1-17(23-15-18-9-5-6-10-22(18)31-23)25-24(28)20-16-19(32(29,30)26(2)3)11-12-21(20)27-13-7-4-8-14-27/h5-6,9-12,15-17H,4,7-8,13-14H2,1-3H3,(H,25,28)
InChIKeyKTXQVQMNYJAFNZ-UHFFFAOYSA-N
MW455.58 g/mol
LogP4.16
Rot. Bonds6

About N-[1-(1-benzofuran-2-yl)ethyl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide

N-[1-(1-benzofuran-2-yl)ethyl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide (PubChem CID 16563524) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
PubChem CID16563524
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
SMILESCC(NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1)c1cc2ccccc2o1
InChIInChI=1S/C24H29N3O4S/c1-17(23-15-18-9-5-6-10-22(18)31-23)25-24(28)20-16-19(32(29,30)26(2)3)11-12-21(20)27-13-7-4-8-14-27/h5-6,9-12,15-17H,4,7-8,13-14H2,1-3H3,(H,25,28)
InChIKeyKTXQVQMNYJAFNZ-UHFFFAOYSA-N
XLogP4.16
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 29198666
N-[1-(2-bromophenyl)ethyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 112762557
5-(dimethylsulfamoyl)-N-(3-methylbutan-2-yl)-2-piperidin-1-ylbenzamide
CID 51250980
5-(dimethylsulfamoyl)-N-(6-methylheptan-2-yl)-2-pyrrolidin-1-ylbenzamide
CID 55344476
2-[[5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoyl]amino]butanoic acid
CID 119223258
5-(dimethylsulfamoyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylbenzamide
CID 55887664
N-[1-(2,5-difluorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 46588089
N-(2-amino-1-cyclopropylethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 119617620
N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 119384344
5-(dimethylsulfamoyl)-N-[2-(methylamino)propyl]-2-pyrrolidin-1-ylbenzamide;hydrochloride
CID 120833091
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 51579914
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 39952249

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide (CID 16563524) is N-[1-(1-benzofuran-2-yl)ethyl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide is CC(NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide?
The InChIKey is KTXQVQMNYJAFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-17(23-15-18-9-5-6-10-22(18)31-23)25-24(28)20-16-19(32(29,30)26(2)3)11-12-21(20)27-13-7-4-8-14-27/h5-6,9-12,15-17H,4,7-8,13-14H2,1-3H3,(H,25,28).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide?
N-[1-(1-benzofuran-2-yl)ethyl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide has a molecular weight of 455.58 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 16563524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).