N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide

C18H22N4O3S2 — CID 4799282

IUPACN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1ncccn1
InChIInChI=1S/C18H22N4O3S2/c1-14-6-7-15(27(24,25)22-10-3-2-4-11-22)12-16(14)21-17(23)13-26-18-19-8-5-9-20-18/h5-9,12H,2-4,10-11,13H2,1H3,(H,21,23)
InChIKeyXNFHUGWVOMKBSO-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.69
Rot. Bonds6

About N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide

N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 4799282) has the molecular formula C18H22N4O3S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID4799282
Molecular FormulaC18H22N4O3S2
Molecular Weight406.53 g/mol
Exact Mass406.11
IUPAC NameN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1ncccn1
InChIInChI=1S/C18H22N4O3S2/c1-14-6-7-15(27(24,25)22-10-3-2-4-11-22)12-16(14)21-17(23)13-26-18-19-8-5-9-20-18/h5-9,12H,2-4,10-11,13H2,1H3,(H,21,23)
InChIKeyXNFHUGWVOMKBSO-UHFFFAOYSA-N
XLogP2.69
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide (CID 4799282) is N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1ncccn1.
What is the InChIKey of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is XNFHUGWVOMKBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S2/c1-14-6-7-15(27(24,25)22-10-3-2-4-11-22)12-16(14)21-17(23)13-26-18-19-8-5-9-20-18/h5-9,12H,2-4,10-11,13H2,1H3,(H,21,23).
What are the key properties of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 406.53 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 4799282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).