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

C24H28ClN3O4S — CID 3787646

IUPACN-(2-chlorophenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC3C(=O)Nc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C24H28ClN3O4S/c1-17-8-10-19(11-9-17)33(31,32)27-15-12-18(13-16-27)24(30)28-14-4-7-22(28)23(29)26-21-6-3-2-5-20(21)25/h2-3,5-6,8-11,18,22H,4,7,12-16H2,1H3,(H,26,29)
InChIKeyNBMIUZHPDCCQOH-UHFFFAOYSA-N
MW490.03 g/mol
LogP3.68
Rot. Bonds5

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

N-(2-chlorophenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 3787646) has the molecular formula C24H28ClN3O4S and a molecular weight of 490.03 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide
PubChem CID3787646
Molecular FormulaC24H28ClN3O4S
Molecular Weight490.03 g/mol
Exact Mass489.15
IUPAC NameN-(2-chlorophenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC3C(=O)Nc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C24H28ClN3O4S/c1-17-8-10-19(11-9-17)33(31,32)27-15-12-18(13-16-27)24(30)28-14-4-7-22(28)23(29)26-21-6-3-2-5-20(21)25/h2-3,5-6,8-11,18,22H,4,7,12-16H2,1H3,(H,26,29)
InChIKeyNBMIUZHPDCCQOH-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-(2-chlorophenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide (CID 3787646) is N-(2-chlorophenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC3C(=O)Nc3ccccc3Cl)CC2)cc1.
What is the InChIKey of N-(2-chlorophenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is NBMIUZHPDCCQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O4S/c1-17-8-10-19(11-9-17)33(31,32)27-15-12-18(13-16-27)24(30)28-14-4-7-22(28)23(29)26-21-6-3-2-5-20(21)25/h2-3,5-6,8-11,18,22H,4,7,12-16H2,1H3,(H,26,29).
What are the key properties of N-(2-chlorophenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide?
N-(2-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-(2-chlorophenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 3787646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).