N-cyclopropyl-2-oxo-2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carbonyl]piperazin-1-yl]acetamide

C23H32N4O5S — CID 55800250

IUPACN-cyclopropyl-2-oxo-2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carbonyl]piperazin-1-yl]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCCC2C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c(C)c1
InChIInChI=1S/C23H32N4O5S/c1-15-13-16(2)20(17(3)14-15)33(31,32)27-8-4-5-19(27)22(29)25-9-11-26(12-10-25)23(30)21(28)24-18-6-7-18/h13-14,18-19H,4-12H2,1-3H3,(H,24,28)
InChIKeyYOKOIDBMFDIOSR-UHFFFAOYSA-N
MW476.60 g/mol
LogP0.71
Rot. Bonds4

About N-cyclopropyl-2-oxo-2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carbonyl]piperazin-1-yl]acetamide

N-cyclopropyl-2-oxo-2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carbonyl]piperazin-1-yl]acetamide (PubChem CID 55800250) has the molecular formula C23H32N4O5S and a molecular weight of 476.60 g/mol. Its IUPAC name is N-cyclopropyl-2-oxo-2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carbonyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-oxo-2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carbonyl]piperazin-1-yl]acetamide
PubChem CID55800250
Molecular FormulaC23H32N4O5S
Molecular Weight476.60 g/mol
Exact Mass476.21
IUPAC NameN-cyclopropyl-2-oxo-2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carbonyl]piperazin-1-yl]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCCC2C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c(C)c1
InChIInChI=1S/C23H32N4O5S/c1-15-13-16(2)20(17(3)14-15)33(31,32)27-8-4-5-19(27)22(29)25-9-11-26(12-10-25)23(30)21(28)24-18-6-7-18/h13-14,18-19H,4-12H2,1-3H3,(H,24,28)
InChIKeyYOKOIDBMFDIOSR-UHFFFAOYSA-N
XLogP0.71
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-oxo-2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carbonyl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-oxo-2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carbonyl]piperazin-1-yl]acetamide (CID 55800250) is N-cyclopropyl-2-oxo-2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carbonyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-oxo-2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carbonyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-oxo-2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carbonyl]piperazin-1-yl]acetamide is Cc1cc(C)c(S(=O)(=O)N2CCCC2C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c(C)c1.
What is the InChIKey of N-cyclopropyl-2-oxo-2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carbonyl]piperazin-1-yl]acetamide?
The InChIKey is YOKOIDBMFDIOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O5S/c1-15-13-16(2)20(17(3)14-15)33(31,32)27-8-4-5-19(27)22(29)25-9-11-26(12-10-25)23(30)21(28)24-18-6-7-18/h13-14,18-19H,4-12H2,1-3H3,(H,24,28).
What are the key properties of N-cyclopropyl-2-oxo-2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carbonyl]piperazin-1-yl]acetamide?
N-cyclopropyl-2-oxo-2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carbonyl]piperazin-1-yl]acetamide has a molecular weight of 476.60 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-oxo-2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carbonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55800250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).