N-(4-chlorophenyl)-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide

C18H15ClN4OS — CID 58905098

IUPACN-(4-chlorophenyl)-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide
SMILESCN(C(=O)CSc1nccc(-c2ccccn2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN4OS/c1-23(14-7-5-13(19)6-8-14)17(24)12-25-18-21-11-9-16(22-18)15-4-2-3-10-20-15/h2-11H,12H2,1H3
InChIKeyKRGCXWXPYGAQCS-UHFFFAOYSA-N
MW370.87 g/mol
LogP3.95
Rot. Bonds5

About N-(4-chlorophenyl)-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide

N-(4-chlorophenyl)-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 58905098) has the molecular formula C18H15ClN4OS and a molecular weight of 370.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide
PubChem CID58905098
Molecular FormulaC18H15ClN4OS
Molecular Weight370.87 g/mol
Exact Mass370.07
IUPAC NameN-(4-chlorophenyl)-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide
SMILESCN(C(=O)CSc1nccc(-c2ccccn2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN4OS/c1-23(14-7-5-13(19)6-8-14)17(24)12-25-18-21-11-9-16(22-18)15-4-2-3-10-20-15/h2-11H,12H2,1H3
InChIKeyKRGCXWXPYGAQCS-UHFFFAOYSA-N
XLogP3.95
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.87
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide
CID 58905014
N-cyclohexyl-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide
CID 58905048
2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 58904910
N-(4-aminophenyl)-N-methyl-2-pyrimidin-2-ylsulfanylacetamide
CID 43377226
2-methoxyethyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 58905005
2-(dimethylcarbamoylsulfanyl)ethyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 58904819
ethane;(2,2,2-trifluoro-1-phosphanylethyl) 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 142164815
methyl (Z)-3-methoxy-4-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylbut-2-enoate
CID 58904810
N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide
CID 58905109
3-acetyloxybutan-2-yl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 58905046
2-(diacetylamino)ethyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 58904917
N-cyclopropyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide
CID 58904928

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide (CID 58905098) is N-(4-chlorophenyl)-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide is CN(C(=O)CSc1nccc(-c2ccccn2)n1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is KRGCXWXPYGAQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4OS/c1-23(14-7-5-13(19)6-8-14)17(24)12-25-18-21-11-9-16(22-18)15-4-2-3-10-20-15/h2-11H,12H2,1H3.
What are the key properties of N-(4-chlorophenyl)-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide?
N-(4-chlorophenyl)-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 370.87 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 58905098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).