N-[4-(pyrrolidine-1-carbonyl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

C26H33N3O4S — CID 24655369

IUPACN-[4-(pyrrolidine-1-carbonyl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)CC2)c(C)c1
InChIInChI=1S/C26H33N3O4S/c1-18-16-19(2)24(20(3)17-18)34(32,33)29-14-10-21(11-15-29)25(30)27-23-8-6-22(7-9-23)26(31)28-12-4-5-13-28/h6-9,16-17,21H,4-5,10-15H2,1-3H3,(H,27,30)
InChIKeyQRXJARIVAKQIBG-UHFFFAOYSA-N
MW483.63 g/mol
LogP3.89
Rot. Bonds5

About N-[4-(pyrrolidine-1-carbonyl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

N-[4-(pyrrolidine-1-carbonyl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 24655369) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is N-[4-(pyrrolidine-1-carbonyl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(pyrrolidine-1-carbonyl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID24655369
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC NameN-[4-(pyrrolidine-1-carbonyl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)CC2)c(C)c1
InChIInChI=1S/C26H33N3O4S/c1-18-16-19(2)24(20(3)17-18)34(32,33)29-14-10-21(11-15-29)25(30)27-23-8-6-22(7-9-23)26(31)28-12-4-5-13-28/h6-9,16-17,21H,4-5,10-15H2,1-3H3,(H,27,30)
InChIKeyQRXJARIVAKQIBG-UHFFFAOYSA-N
XLogP3.89
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,2,4-triazol-1-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55567696
azepan-1-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 27658984
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 126184126
N-(3-chloro-4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 1211062
N-(2-chlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 21372919
N-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26253473
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 4849484
1-(2,4-dimethylphenyl)sulfonyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 24687024
1-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 53005822
N-(5-fluoro-2-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26410449
N-(4-methoxyphenyl)-1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53006794
1-(2,4-dimethylphenyl)sulfonyl-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71540714

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrrolidine-1-carbonyl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(pyrrolidine-1-carbonyl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 24655369) is N-[4-(pyrrolidine-1-carbonyl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(pyrrolidine-1-carbonyl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(pyrrolidine-1-carbonyl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)CC2)c(C)c1.
What is the InChIKey of N-[4-(pyrrolidine-1-carbonyl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is QRXJARIVAKQIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-18-16-19(2)24(20(3)17-18)34(32,33)29-14-10-21(11-15-29)25(30)27-23-8-6-22(7-9-23)26(31)28-12-4-5-13-28/h6-9,16-17,21H,4-5,10-15H2,1-3H3,(H,27,30).
What are the key properties of N-[4-(pyrrolidine-1-carbonyl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-[4-(pyrrolidine-1-carbonyl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 483.63 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrrolidine-1-carbonyl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 24655369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).