N-[4-(1,2,4-triazol-1-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

C23H27N5O3S — CID 55567696

IUPACN-[4-(1,2,4-triazol-1-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(-n4cncn4)cc3)CC2)c(C)c1
InChIInChI=1S/C23H27N5O3S/c1-16-12-17(2)22(18(3)13-16)32(30,31)27-10-8-19(9-11-27)23(29)26-20-4-6-21(7-5-20)28-15-24-14-25-28/h4-7,12-15,19H,8-11H2,1-3H3,(H,26,29)
InChIKeyPZAAYCYQJHWKEK-UHFFFAOYSA-N
MW453.57 g/mol
LogP3.23
Rot. Bonds5

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

N-[4-(1,2,4-triazol-1-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 55567696) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is N-[4-(1,2,4-triazol-1-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1,2,4-triazol-1-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID55567696
Molecular FormulaC23H27N5O3S
Molecular Weight453.57 g/mol
Exact Mass453.18
IUPAC NameN-[4-(1,2,4-triazol-1-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(-n4cncn4)cc3)CC2)c(C)c1
InChIInChI=1S/C23H27N5O3S/c1-16-12-17(2)22(18(3)13-16)32(30,31)27-10-8-19(9-11-27)23(29)26-20-4-6-21(7-5-20)28-15-24-14-25-28/h4-7,12-15,19H,8-11H2,1-3H3,(H,26,29)
InChIKeyPZAAYCYQJHWKEK-UHFFFAOYSA-N
XLogP3.23
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(1,2,4-triazol-1-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide with MolForge

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Related Compounds

N-[4-(pyrrolidine-1-carbonyl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 24655369
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-(5-fluoro-2-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26410449
1-(2,4-dimethylphenyl)sulfonyl-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71540714
N-(2,4-difluorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 1211082
azepan-1-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 27658984
1-(1-methylimidazol-4-yl)sulfonyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53085439
N-(2-methoxy-5-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26414036
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 4849484

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2,4-triazol-1-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(1,2,4-triazol-1-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 55567696) is N-[4-(1,2,4-triazol-1-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(1,2,4-triazol-1-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(1,2,4-triazol-1-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(-n4cncn4)cc3)CC2)c(C)c1.
What is the InChIKey of N-[4-(1,2,4-triazol-1-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is PZAAYCYQJHWKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3S/c1-16-12-17(2)22(18(3)13-16)32(30,31)27-10-8-19(9-11-27)23(29)26-20-4-6-21(7-5-20)28-15-24-14-25-28/h4-7,12-15,19H,8-11H2,1-3H3,(H,26,29).
What are the key properties of N-[4-(1,2,4-triazol-1-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-[4-(1,2,4-triazol-1-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 453.57 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2,4-triazol-1-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55567696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).