N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(propanoylamino)benzamide

C25H34N4O4S — CID 55883022

IUPACN-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCCCC2)c1
InChIInChI=1S/C25H34N4O4S/c1-4-24(30)26-20-12-10-11-19(17-20)25(31)27-22-18-21(34(32,33)29(5-2)6-3)13-14-23(22)28-15-8-7-9-16-28/h10-14,17-18H,4-9,15-16H2,1-3H3,(H,26,30)(H,27,31)
InChIKeyWOQQLIGCLAKNCD-UHFFFAOYSA-N
MW486.64 g/mol
LogP4.31
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(propanoylamino)benzamide

N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(propanoylamino)benzamide (PubChem CID 55883022) has the molecular formula C25H34N4O4S and a molecular weight of 486.64 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(propanoylamino)benzamide
PubChem CID55883022
Molecular FormulaC25H34N4O4S
Molecular Weight486.64 g/mol
Exact Mass486.23
IUPAC NameN-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCCCC2)c1
InChIInChI=1S/C25H34N4O4S/c1-4-24(30)26-20-12-10-11-19(17-20)25(31)27-22-18-21(34(32,33)29(5-2)6-3)13-14-23(22)28-15-8-7-9-16-28/h10-14,17-18H,4-9,15-16H2,1-3H3,(H,26,30)(H,27,31)
InChIKeyWOQQLIGCLAKNCD-UHFFFAOYSA-N
XLogP4.31
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.64
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 4986989
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3,5-dimethoxybenzamide
CID 4796940
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]cyclopropanecarboxamide
CID 7478657
methyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]benzoate
CID 26880898
1-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 4094712
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide
CID 7551410
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-4-prop-2-enoxybenzamide
CID 55577639
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-1-benzothiophene-2-carboxamide
CID 16561052
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55667323
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60529635
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-1-benzofuran-2-carboxamide
CID 26880925
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]oxane-4-carboxamide
CID 30970754

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(propanoylamino)benzamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(propanoylamino)benzamide (CID 55883022) is N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(propanoylamino)benzamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(propanoylamino)benzamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(propanoylamino)benzamide is CCC(=O)Nc1cccc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCCCC2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(propanoylamino)benzamide?
The InChIKey is WOQQLIGCLAKNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4S/c1-4-24(30)26-20-12-10-11-19(17-20)25(31)27-22-18-21(34(32,33)29(5-2)6-3)13-14-23(22)28-15-8-7-9-16-28/h10-14,17-18H,4-9,15-16H2,1-3H3,(H,26,30)(H,27,31).
What are the key properties of N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(propanoylamino)benzamide?
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(propanoylamino)benzamide has a molecular weight of 486.64 g/mol, XLogP of 4.31, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(propanoylamino)benzamide is sourced from PubChem (CID 55883022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).