N-(5-chloro-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

C15H16ClN3O2S — CID 815338

IUPACN-(5-chloro-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1nc(C)cc(C)n1
InChIInChI=1S/C15H16ClN3O2S/c1-9-6-10(2)18-15(17-9)22-8-14(20)19-12-7-11(16)4-5-13(12)21-3/h4-7H,8H2,1-3H3,(H,19,20)
InChIKeyBECOCIFOSDCLNB-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.49
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

N-(5-chloro-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 815338) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID815338
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1nc(C)cc(C)n1
InChIInChI=1S/C15H16ClN3O2S/c1-9-6-10(2)18-15(17-9)22-8-14(20)19-12-7-11(16)4-5-13(12)21-3/h4-7H,8H2,1-3H3,(H,19,20)
InChIKeyBECOCIFOSDCLNB-UHFFFAOYSA-N
XLogP3.49
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (CID 815338) is N-(5-chloro-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is COc1ccc(Cl)cc1NC(=O)CSc1nc(C)cc(C)n1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is BECOCIFOSDCLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c1-9-6-10(2)18-15(17-9)22-8-14(20)19-12-7-11(16)4-5-13(12)21-3/h4-7H,8H2,1-3H3,(H,19,20).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
N-(5-chloro-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 337.83 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 815338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).