4-methylsulfanyl-N-(2-phenoxypyrimidin-5-yl)benzamide

C18H15N3O2S — CID 122302430

IUPAC4-methylsulfanyl-N-(2-phenoxypyrimidin-5-yl)benzamide
SMILESCSc1ccc(C(=O)Nc2cnc(Oc3ccccc3)nc2)cc1
InChIInChI=1S/C18H15N3O2S/c1-24-16-9-7-13(8-10-16)17(22)21-14-11-19-18(20-12-14)23-15-5-3-2-4-6-15/h2-12H,1H3,(H,21,22)
InChIKeyILUXLOITHRKECC-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.24
Rot. Bonds5

About 4-methylsulfanyl-N-(2-phenoxypyrimidin-5-yl)benzamide

4-methylsulfanyl-N-(2-phenoxypyrimidin-5-yl)benzamide (PubChem CID 122302430) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 4-methylsulfanyl-N-(2-phenoxypyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-(2-phenoxypyrimidin-5-yl)benzamide
PubChem CID122302430
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name4-methylsulfanyl-N-(2-phenoxypyrimidin-5-yl)benzamide
SMILESCSc1ccc(C(=O)Nc2cnc(Oc3ccccc3)nc2)cc1
InChIInChI=1S/C18H15N3O2S/c1-24-16-9-7-13(8-10-16)17(22)21-14-11-19-18(20-12-14)23-15-5-3-2-4-6-15/h2-12H,1H3,(H,21,22)
InChIKeyILUXLOITHRKECC-UHFFFAOYSA-N
XLogP4.24
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302199
4-(dimethylamino)-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302379
N-(2-phenoxypyrimidin-5-yl)naphthalene-2-carboxamide
CID 122302221
3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302206
3,4,5-trimethoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302212
1-(2-phenoxypyrimidin-5-yl)-3-phenylurea
CID 122302271
N-(2-phenoxypyrimidin-5-yl)quinoxaline-2-carboxamide
CID 122302374
2,2-dimethyl-N-(2-phenoxypyrimidin-5-yl)propanamide
CID 122302193
4-acetyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide
CID 122303112
2,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302232
N-(4-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide
CID 46388960
N-(6-formyl-3-pyridinyl)-2-phenoxypyrimidine-5-carboxamide
CID 86098575

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-(2-phenoxypyrimidin-5-yl)benzamide?
The IUPAC name of 4-methylsulfanyl-N-(2-phenoxypyrimidin-5-yl)benzamide (CID 122302430) is 4-methylsulfanyl-N-(2-phenoxypyrimidin-5-yl)benzamide.
What is the SMILES notation for 4-methylsulfanyl-N-(2-phenoxypyrimidin-5-yl)benzamide?
The canonical SMILES for 4-methylsulfanyl-N-(2-phenoxypyrimidin-5-yl)benzamide is CSc1ccc(C(=O)Nc2cnc(Oc3ccccc3)nc2)cc1.
What is the InChIKey of 4-methylsulfanyl-N-(2-phenoxypyrimidin-5-yl)benzamide?
The InChIKey is ILUXLOITHRKECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-24-16-9-7-13(8-10-16)17(22)21-14-11-19-18(20-12-14)23-15-5-3-2-4-6-15/h2-12H,1H3,(H,21,22).
What are the key properties of 4-methylsulfanyl-N-(2-phenoxypyrimidin-5-yl)benzamide?
4-methylsulfanyl-N-(2-phenoxypyrimidin-5-yl)benzamide has a molecular weight of 337.40 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-(2-phenoxypyrimidin-5-yl)benzamide is sourced from PubChem (CID 122302430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).