N-(3-chlorophenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide

C24H28ClN3O4S — CID 3825474

IUPACN-(3-chlorophenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC3C(=O)Nc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C24H28ClN3O4S/c1-17-7-9-21(10-8-17)33(31,32)27-14-11-18(12-15-27)24(30)28-13-3-6-22(28)23(29)26-20-5-2-4-19(25)16-20/h2,4-5,7-10,16,18,22H,3,6,11-15H2,1H3,(H,26,29)
InChIKeyATLOPUKNXSBMQR-UHFFFAOYSA-N
MW490.03 g/mol
LogP3.68
Rot. Bonds5

About N-(3-chlorophenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide

N-(3-chlorophenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 3825474) has the molecular formula C24H28ClN3O4S and a molecular weight of 490.03 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide
PubChem CID3825474
Molecular FormulaC24H28ClN3O4S
Molecular Weight490.03 g/mol
Exact Mass489.15
IUPAC NameN-(3-chlorophenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC3C(=O)Nc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C24H28ClN3O4S/c1-17-7-9-21(10-8-17)33(31,32)27-14-11-18(12-15-27)24(30)28-13-3-6-22(28)23(29)26-20-5-2-4-19(25)16-20/h2,4-5,7-10,16,18,22H,3,6,11-15H2,1H3,(H,26,29)
InChIKeyATLOPUKNXSBMQR-UHFFFAOYSA-N
XLogP3.68
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.03
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide (CID 3825474) is N-(3-chlorophenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC3C(=O)Nc3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is ATLOPUKNXSBMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O4S/c1-17-7-9-21(10-8-17)33(31,32)27-14-11-18(12-15-27)24(30)28-13-3-6-22(28)23(29)26-20-5-2-4-19(25)16-20/h2,4-5,7-10,16,18,22H,3,6,11-15H2,1H3,(H,26,29).
What are the key properties of N-(3-chlorophenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide?
N-(3-chlorophenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 490.03 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 3825474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).