N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide

C23H35N3O4S — CID 25163096

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCCCN3CCCC3=O)CC2)c1C
InChIInChI=1S/C23H35N3O4S/c1-16-15-17(2)19(4)22(18(16)3)31(29,30)26-13-8-20(9-14-26)23(28)24-10-6-12-25-11-5-7-21(25)27/h15,20H,5-14H2,1-4H3,(H,24,28)
InChIKeyKZXJVWLBRXKCRP-UHFFFAOYSA-N
MW449.62 g/mol
LogP2.45
Rot. Bonds7

About N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 25163096) has the molecular formula C23H35N3O4S and a molecular weight of 449.62 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID25163096
Molecular FormulaC23H35N3O4S
Molecular Weight449.62 g/mol
Exact Mass449.23
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCCCN3CCCC3=O)CC2)c1C
InChIInChI=1S/C23H35N3O4S/c1-16-15-17(2)19(4)22(18(16)3)31(29,30)26-13-8-20(9-14-26)23(28)24-10-6-12-25-11-5-7-21(25)27/h15,20H,5-14H2,1-4H3,(H,24,28)
InChIKeyKZXJVWLBRXKCRP-UHFFFAOYSA-N
XLogP2.45
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.62
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide (CID 25163096) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCCCN3CCCC3=O)CC2)c1C.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is KZXJVWLBRXKCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O4S/c1-16-15-17(2)19(4)22(18(16)3)31(29,30)26-13-8-20(9-14-26)23(28)24-10-6-12-25-11-5-7-21(25)27/h15,20H,5-14H2,1-4H3,(H,24,28).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 449.62 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 25163096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).