3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-N,N-diethyl-4-pyrrolidin-1-ylbenzenesulfonamide

C25H38N4O4S — CID 55564764

IUPAC3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-N,N-diethyl-4-pyrrolidin-1-ylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C25H38N4O4S/c1-3-29(4-2)34(32,33)21-11-12-23(26-13-7-8-14-26)22(19-21)25(31)28-17-15-27(16-18-28)24(30)20-9-5-6-10-20/h11-12,19-20H,3-10,13-18H2,1-2H3
InChIKeyZMFAOZQGRSHKNS-UHFFFAOYSA-N
MW490.67 g/mol
LogP2.79
Rot. Bonds7

About 3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-N,N-diethyl-4-pyrrolidin-1-ylbenzenesulfonamide

3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-N,N-diethyl-4-pyrrolidin-1-ylbenzenesulfonamide (PubChem CID 55564764) has the molecular formula C25H38N4O4S and a molecular weight of 490.67 g/mol. Its IUPAC name is 3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-N,N-diethyl-4-pyrrolidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-N,N-diethyl-4-pyrrolidin-1-ylbenzenesulfonamide
PubChem CID55564764
Molecular FormulaC25H38N4O4S
Molecular Weight490.67 g/mol
Exact Mass490.26
IUPAC Name3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-N,N-diethyl-4-pyrrolidin-1-ylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C25H38N4O4S/c1-3-29(4-2)34(32,33)21-11-12-23(26-13-7-8-14-26)22(19-21)25(31)28-17-15-27(16-18-28)24(30)20-9-5-6-10-20/h11-12,19-20H,3-10,13-18H2,1-2H3
InChIKeyZMFAOZQGRSHKNS-UHFFFAOYSA-N
XLogP2.79
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.67
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-3-(4-methoxypiperidine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 55480216
N,N-diethyl-3-(4-phenylpiperazine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 29198849
N,N-diethyl-4-methyl-3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55340112
3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide
CID 55901778
4-chloro-N,N-diethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 78774378
N,N-diethyl-4-morpholin-4-yl-3-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 55549228
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide
CID 7551410
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate
CID 16543719
N,N-dimethyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-4-piperidin-1-ylbenzenesulfonamide
CID 39969807
N-(2-amino-2-oxoethyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 9276846
N,N-diethyl-4-methyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 60559116
5-(diethylsulfamoyl)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 51159074

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-N,N-diethyl-4-pyrrolidin-1-ylbenzenesulfonamide?
The IUPAC name of 3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-N,N-diethyl-4-pyrrolidin-1-ylbenzenesulfonamide (CID 55564764) is 3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-N,N-diethyl-4-pyrrolidin-1-ylbenzenesulfonamide.
What is the SMILES notation for 3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-N,N-diethyl-4-pyrrolidin-1-ylbenzenesulfonamide?
The canonical SMILES for 3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-N,N-diethyl-4-pyrrolidin-1-ylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c1.
What is the InChIKey of 3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-N,N-diethyl-4-pyrrolidin-1-ylbenzenesulfonamide?
The InChIKey is ZMFAOZQGRSHKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O4S/c1-3-29(4-2)34(32,33)21-11-12-23(26-13-7-8-14-26)22(19-21)25(31)28-17-15-27(16-18-28)24(30)20-9-5-6-10-20/h11-12,19-20H,3-10,13-18H2,1-2H3.
What are the key properties of 3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-N,N-diethyl-4-pyrrolidin-1-ylbenzenesulfonamide?
3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-N,N-diethyl-4-pyrrolidin-1-ylbenzenesulfonamide has a molecular weight of 490.67 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-N,N-diethyl-4-pyrrolidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 55564764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).