2-pyridin-4-ylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide

C17H20N4O2S — CID 90633440

IUPAC2-pyridin-4-ylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
SMILESO=C(CSc1ccncc1)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C17H20N4O2S/c22-16(12-24-15-6-10-18-11-7-15)21-13-2-4-14(5-3-13)23-17-19-8-1-9-20-17/h1,6-11,13-14H,2-5,12H2,(H,21,22)
InChIKeyCDXROMGWYRTFFO-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.47
Rot. Bonds6

About 2-pyridin-4-ylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide

2-pyridin-4-ylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide (PubChem CID 90633440) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-pyridin-4-ylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-pyridin-4-ylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
PubChem CID90633440
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name2-pyridin-4-ylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
SMILESO=C(CSc1ccncc1)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C17H20N4O2S/c22-16(12-24-15-6-10-18-11-7-15)21-13-2-4-14(5-3-13)23-17-19-8-1-9-20-17/h1,6-11,13-14H,2-5,12H2,(H,21,22)
InChIKeyCDXROMGWYRTFFO-UHFFFAOYSA-N
XLogP2.47
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 90633186
2-(4-chlorophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 91626255
N-(4-pyrimidin-2-yloxycyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 90633413
2-naphthalen-2-yloxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 90633295
2-ethylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633335
2-[methyl(methylsulfonyl)amino]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 91626284
2-(4-nitrophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 90633306
2-(3-methoxyphenoxy)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 91626250
2-benzylsulfanyl-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90633748
1-ethyl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633499
2-methylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633334
N-(4-pyrimidin-2-yloxycyclohexyl)cyclopentanecarboxamide
CID 90633226

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-ylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
The IUPAC name of 2-pyridin-4-ylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide (CID 90633440) is 2-pyridin-4-ylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide.
What is the SMILES notation for 2-pyridin-4-ylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
The canonical SMILES for 2-pyridin-4-ylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide is O=C(CSc1ccncc1)NC1CCC(Oc2ncccn2)CC1.
What is the InChIKey of 2-pyridin-4-ylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
The InChIKey is CDXROMGWYRTFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c22-16(12-24-15-6-10-18-11-7-15)21-13-2-4-14(5-3-13)23-17-19-8-1-9-20-17/h1,6-11,13-14H,2-5,12H2,(H,21,22).
What are the key properties of 2-pyridin-4-ylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
2-pyridin-4-ylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide has a molecular weight of 344.44 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-ylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide is sourced from PubChem (CID 90633440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).