2-pyrimidin-2-ylsulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide

C15H17N3O4S — CID 2592805

IUPAC2-pyrimidin-2-ylsulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CSc2ncccn2)cc(OC)c1OC
InChIInChI=1S/C15H17N3O4S/c1-20-11-7-10(8-12(21-2)14(11)22-3)18-13(19)9-23-15-16-5-4-6-17-15/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeyWBVPVAGIINFXPH-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.23
Rot. Bonds7

About 2-pyrimidin-2-ylsulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide

2-pyrimidin-2-ylsulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 2592805) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-pyrimidin-2-ylsulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-pyrimidin-2-ylsulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID2592805
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name2-pyrimidin-2-ylsulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CSc2ncccn2)cc(OC)c1OC
InChIInChI=1S/C15H17N3O4S/c1-20-11-7-10(8-12(21-2)14(11)22-3)18-13(19)9-23-15-16-5-4-6-17-15/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeyWBVPVAGIINFXPH-UHFFFAOYSA-N
XLogP2.23
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 3404975
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 46688550
2-pyrimidin-2-ylsulfanyl-N-(3,4,5-tribromo-2-methoxyphenyl)acetamide
CID 3254971
2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetic acid
CID 115569395
2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 31905201
2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 6415776
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2532628
N-(5-tert-butyl-2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 7995313
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 5198981
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 39049445
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 4222244
2-(4-bromo-2-methylphenyl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 27873785

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-ylsulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-pyrimidin-2-ylsulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide (CID 2592805) is 2-pyrimidin-2-ylsulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-pyrimidin-2-ylsulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-pyrimidin-2-ylsulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)CSc2ncccn2)cc(OC)c1OC.
What is the InChIKey of 2-pyrimidin-2-ylsulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is WBVPVAGIINFXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-20-11-7-10(8-12(21-2)14(11)22-3)18-13(19)9-23-15-16-5-4-6-17-15/h4-8H,9H2,1-3H3,(H,18,19).
What are the key properties of 2-pyrimidin-2-ylsulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide?
2-pyrimidin-2-ylsulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 335.39 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-ylsulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 2592805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).