1-(4-acetylphenyl)sulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide

C24H27N5O5S — CID 55881754

IUPAC1-(4-acetylphenyl)sulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCCCC2C(=O)Nc2cccc(OCCn3cncn3)c2)cc1
InChIInChI=1S/C24H27N5O5S/c1-18(30)19-8-10-22(11-9-19)35(32,33)29-12-3-2-7-23(29)24(31)27-20-5-4-6-21(15-20)34-14-13-28-17-25-16-26-28/h4-6,8-11,15-17,23H,2-3,7,12-14H2,1H3,(H,27,31)
InChIKeySPTCKJRTRZDWAB-UHFFFAOYSA-N
MW497.58 g/mol
LogP2.74
Rot. Bonds9

About 1-(4-acetylphenyl)sulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide

1-(4-acetylphenyl)sulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide (PubChem CID 55881754) has the molecular formula C24H27N5O5S and a molecular weight of 497.58 g/mol. Its IUPAC name is 1-(4-acetylphenyl)sulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-acetylphenyl)sulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide
PubChem CID55881754
Molecular FormulaC24H27N5O5S
Molecular Weight497.58 g/mol
Exact Mass497.17
IUPAC Name1-(4-acetylphenyl)sulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCCCC2C(=O)Nc2cccc(OCCn3cncn3)c2)cc1
InChIInChI=1S/C24H27N5O5S/c1-18(30)19-8-10-22(11-9-19)35(32,33)29-12-3-2-7-23(29)24(31)27-20-5-4-6-21(15-20)34-14-13-28-17-25-16-26-28/h4-6,8-11,15-17,23H,2-3,7,12-14H2,1H3,(H,27,31)
InChIKeySPTCKJRTRZDWAB-UHFFFAOYSA-N
XLogP2.74
TPSA123.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-methylpiperidin-1-yl)sulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]benzamide
CID 55881490
1-(4-acetylphenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide
CID 55335097
(2R)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide
CID 119859094
1-(4-acetylphenyl)sulfonyl-N-(4-ethoxyphenyl)piperidine-2-carboxamide
CID 55333838
N-(3-acetylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827874
1-(benzenesulfonyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]piperidine-2-carboxamide
CID 43056004
3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide
CID 55880350
(2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 1468399
(2R)-N-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40894588
2-methyl-5-methylsulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]benzamide
CID 55882008
1-(4-acetylphenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-2-carboxamide
CID 55359494
1-(3-acetylphenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide
CID 60539561

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide?
The IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide (CID 55881754) is 1-(4-acetylphenyl)sulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(4-acetylphenyl)sulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide?
The canonical SMILES for 1-(4-acetylphenyl)sulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide is CC(=O)c1ccc(S(=O)(=O)N2CCCCC2C(=O)Nc2cccc(OCCn3cncn3)c2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)sulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide?
The InChIKey is SPTCKJRTRZDWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O5S/c1-18(30)19-8-10-22(11-9-19)35(32,33)29-12-3-2-7-23(29)24(31)27-20-5-4-6-21(15-20)34-14-13-28-17-25-16-26-28/h4-6,8-11,15-17,23H,2-3,7,12-14H2,1H3,(H,27,31).
What are the key properties of 1-(4-acetylphenyl)sulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide?
1-(4-acetylphenyl)sulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide has a molecular weight of 497.58 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)sulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 55881754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).