N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide

C26H36N4O5S2 — CID 4986989

IUPACN-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1
InChIInChI=1S/C26H36N4O5S2/c1-3-29(4-2)36(32,33)23-13-14-25(28-15-6-5-7-16-28)24(20-23)27-26(31)21-11-10-12-22(19-21)37(34,35)30-17-8-9-18-30/h10-14,19-20H,3-9,15-18H2,1-2H3,(H,27,31)
InChIKeyDTFFTTRKMYOYJC-UHFFFAOYSA-N
MW548.73 g/mol
LogP3.74
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide

N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 4986989) has the molecular formula C26H36N4O5S2 and a molecular weight of 548.73 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID4986989
Molecular FormulaC26H36N4O5S2
Molecular Weight548.73 g/mol
Exact Mass548.21
IUPAC NameN-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1
InChIInChI=1S/C26H36N4O5S2/c1-3-29(4-2)36(32,33)23-13-14-25(28-15-6-5-7-16-28)24(20-23)27-26(31)21-11-10-12-22(19-21)37(34,35)30-17-8-9-18-30/h10-14,19-20H,3-9,15-18H2,1-2H3,(H,27,31)
InChIKeyDTFFTTRKMYOYJC-UHFFFAOYSA-N
XLogP3.74
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.73
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 3547247
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(propanoylamino)benzamide
CID 55883022
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3,5-dimethoxybenzamide
CID 4796940
2-chloro-5-(diethylsulfamoyl)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 3584182
N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-fluorobenzamide
CID 24979568
3,4,5-trimethoxy-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4850008
methyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]benzoate
CID 26880898
N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-(trifluoromethyl)benzamide
CID 24979965
3-(dimethylsulfamoyl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4849961
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]cyclopropanecarboxamide
CID 7478657
4-acetamido-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 26524447
3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide
CID 2426815

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide (CID 4986989) is N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide is CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is DTFFTTRKMYOYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O5S2/c1-3-29(4-2)36(32,33)23-13-14-25(28-15-6-5-7-16-28)24(20-23)27-26(31)21-11-10-12-22(19-21)37(34,35)30-17-8-9-18-30/h10-14,19-20H,3-9,15-18H2,1-2H3,(H,27,31).
What are the key properties of N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 548.73 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 4986989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).