N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-1-methylsulfonylpiperidine-3-carboxamide

C21H34N4O5S2 — CID 43053446

IUPACN-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)C2CCCN(S(C)(=O)=O)C2)c1
InChIInChI=1S/C21H34N4O5S2/c1-4-24(5-2)32(29,30)18-10-11-20(23-12-6-7-13-23)19(15-18)22-21(26)17-9-8-14-25(16-17)31(3,27)28/h10-11,15,17H,4-9,12-14,16H2,1-3H3,(H,22,26)
InChIKeyDMEREHMKTJGXEE-UHFFFAOYSA-N
MW486.66 g/mol
LogP1.93
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-1-methylsulfonylpiperidine-3-carboxamide

N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 43053446) has the molecular formula C21H34N4O5S2 and a molecular weight of 486.66 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID43053446
Molecular FormulaC21H34N4O5S2
Molecular Weight486.66 g/mol
Exact Mass486.20
IUPAC NameN-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)C2CCCN(S(C)(=O)=O)C2)c1
InChIInChI=1S/C21H34N4O5S2/c1-4-24(5-2)32(29,30)18-10-11-20(23-12-6-7-13-23)19(15-18)22-21(26)17-9-8-14-25(16-17)31(3,27)28/h10-11,15,17H,4-9,12-14,16H2,1-3H3,(H,22,26)
InChIKeyDMEREHMKTJGXEE-UHFFFAOYSA-N
XLogP1.93
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide
CID 7551410
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]cyclopropanecarboxamide
CID 7478657
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]oxane-4-carboxamide
CID 30970754
ethyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]piperidine-1-carboxylate
CID 31504732
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 4986989
N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]cyclohexanecarboxamide
CID 17422008
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3,5-dimethoxybenzamide
CID 4796940
methyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]benzoate
CID 26880898
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55667323
ethyl 4-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylanilino]-4-oxobutanoate
CID 33143034
1-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 41305949
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 7551095

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-1-methylsulfonylpiperidine-3-carboxamide (CID 43053446) is N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-1-methylsulfonylpiperidine-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)C2CCCN(S(C)(=O)=O)C2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is DMEREHMKTJGXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O5S2/c1-4-24(5-2)32(29,30)18-10-11-20(23-12-6-7-13-23)19(15-18)22-21(26)17-9-8-14-25(16-17)31(3,27)28/h10-11,15,17H,4-9,12-14,16H2,1-3H3,(H,22,26).
What are the key properties of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-1-methylsulfonylpiperidine-3-carboxamide?
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 486.66 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 43053446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).