N-(2-cyanophenyl)-4-(4-pyrimidin-5-ylphenyl)sulfonylpiperidine-1-carboxamide

C23H21N5O3S — CID 24731076

IUPACN-(2-cyanophenyl)-4-(4-pyrimidin-5-ylphenyl)sulfonylpiperidine-1-carboxamide
SMILESN#Cc1ccccc1NC(=O)N1CCC(S(=O)(=O)c2ccc(-c3cncnc3)cc2)CC1
InChIInChI=1S/C23H21N5O3S/c24-13-18-3-1-2-4-22(18)27-23(29)28-11-9-21(10-12-28)32(30,31)20-7-5-17(6-8-20)19-14-25-16-26-15-19/h1-8,14-16,21H,9-12H2,(H,27,29)
InChIKeyYSXBGHVKOXYISF-UHFFFAOYSA-N
MW447.52 g/mol
LogP3.49
Rot. Bonds4

About N-(2-cyanophenyl)-4-(4-pyrimidin-5-ylphenyl)sulfonylpiperidine-1-carboxamide

N-(2-cyanophenyl)-4-(4-pyrimidin-5-ylphenyl)sulfonylpiperidine-1-carboxamide (PubChem CID 24731076) has the molecular formula C23H21N5O3S and a molecular weight of 447.52 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-(4-pyrimidin-5-ylphenyl)sulfonylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-(4-pyrimidin-5-ylphenyl)sulfonylpiperidine-1-carboxamide
PubChem CID24731076
Molecular FormulaC23H21N5O3S
Molecular Weight447.52 g/mol
Exact Mass447.14
IUPAC NameN-(2-cyanophenyl)-4-(4-pyrimidin-5-ylphenyl)sulfonylpiperidine-1-carboxamide
SMILESN#Cc1ccccc1NC(=O)N1CCC(S(=O)(=O)c2ccc(-c3cncnc3)cc2)CC1
InChIInChI=1S/C23H21N5O3S/c24-13-18-3-1-2-4-22(18)27-23(29)28-11-9-21(10-12-28)32(30,31)20-7-5-17(6-8-20)19-14-25-16-26-15-19/h1-8,14-16,21H,9-12H2,(H,27,29)
InChIKeyYSXBGHVKOXYISF-UHFFFAOYSA-N
XLogP3.49
TPSA116.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylsulfanylphenyl)-4-(4-pyrimidin-5-ylphenyl)sulfonylpiperidine-1-carboxamide
CID 24731073
4-(4-methylphenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide
CID 24731921
N-(2,1,3-benzothiadiazol-4-yl)-4-(4-thiophen-3-ylphenyl)sulfonylpiperidine-1-carboxamide
CID 24730834
(3R)-3-(benzenesulfonyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 129373851
4-(benzenesulfonyl)-N-iodopiperidine-1-carboxamide
CID 143541768
4-(4-acetylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide
CID 113114212
4-(4-tert-butylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide
CID 113112681
[4-(benzenesulfonyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 90589122
4-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-1-carboxamide
CID 90589838
1-[(3-cyano-2-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122087279
1-[2-(2-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 799678
N-(2-cyanophenyl)-4-pentylpiperazine-1-carboxamide
CID 113110841

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-(4-pyrimidin-5-ylphenyl)sulfonylpiperidine-1-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-4-(4-pyrimidin-5-ylphenyl)sulfonylpiperidine-1-carboxamide (CID 24731076) is N-(2-cyanophenyl)-4-(4-pyrimidin-5-ylphenyl)sulfonylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-(4-pyrimidin-5-ylphenyl)sulfonylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-4-(4-pyrimidin-5-ylphenyl)sulfonylpiperidine-1-carboxamide is N#Cc1ccccc1NC(=O)N1CCC(S(=O)(=O)c2ccc(-c3cncnc3)cc2)CC1.
What is the InChIKey of N-(2-cyanophenyl)-4-(4-pyrimidin-5-ylphenyl)sulfonylpiperidine-1-carboxamide?
The InChIKey is YSXBGHVKOXYISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3S/c24-13-18-3-1-2-4-22(18)27-23(29)28-11-9-21(10-12-28)32(30,31)20-7-5-17(6-8-20)19-14-25-16-26-15-19/h1-8,14-16,21H,9-12H2,(H,27,29).
What are the key properties of N-(2-cyanophenyl)-4-(4-pyrimidin-5-ylphenyl)sulfonylpiperidine-1-carboxamide?
N-(2-cyanophenyl)-4-(4-pyrimidin-5-ylphenyl)sulfonylpiperidine-1-carboxamide has a molecular weight of 447.52 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-4-(4-pyrimidin-5-ylphenyl)sulfonylpiperidine-1-carboxamide is sourced from PubChem (CID 24731076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).