2-benzylsulfanyl-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide

C19H22ClN3O2S — CID 90633748

IUPAC2-benzylsulfanyl-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide
SMILESO=C(CSCc1ccccc1)NC1CCC(Oc2ncc(Cl)cn2)CC1
InChIInChI=1S/C19H22ClN3O2S/c20-15-10-21-19(22-11-15)25-17-8-6-16(7-9-17)23-18(24)13-26-12-14-4-2-1-3-5-14/h1-5,10-11,16-17H,6-9,12-13H2,(H,23,24)
InChIKeyLEKXQQSZBKNDHI-UHFFFAOYSA-N
MW391.92 g/mol
LogP3.87
Rot. Bonds7

About 2-benzylsulfanyl-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide

2-benzylsulfanyl-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide (PubChem CID 90633748) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide
PubChem CID90633748
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC Name2-benzylsulfanyl-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide
SMILESO=C(CSCc1ccccc1)NC1CCC(Oc2ncc(Cl)cn2)CC1
InChIInChI=1S/C19H22ClN3O2S/c20-15-10-21-19(22-11-15)25-17-8-6-16(7-9-17)23-18(24)13-26-12-14-4-2-1-3-5-14/h1-5,10-11,16-17H,6-9,12-13H2,(H,23,24)
InChIKeyLEKXQQSZBKNDHI-UHFFFAOYSA-N
XLogP3.87
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-phenylurea
CID 90633954
2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90633733
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide
CID 91626381
2-(4-chlorophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 91626255
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-(4-fluorophenoxy)acetamide
CID 90633747
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-fluorobenzamide
CID 90633695
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-(3-methoxyphenoxy)acetamide
CID 90633739
5-chloro-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]thiophene-2-carboxamide
CID 90633833
2-pyridin-4-ylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 90633440
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]cyclohexanecarboxamide
CID 90633658
3-bromo-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90633702
2-[(4-chlorophenyl)methylsulfanyl]-N-piperidin-4-ylacetamide
CID 119388300

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide (CID 90633748) is 2-benzylsulfanyl-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide is O=C(CSCc1ccccc1)NC1CCC(Oc2ncc(Cl)cn2)CC1.
What is the InChIKey of 2-benzylsulfanyl-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide?
The InChIKey is LEKXQQSZBKNDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2S/c20-15-10-21-19(22-11-15)25-17-8-6-16(7-9-17)23-18(24)13-26-12-14-4-2-1-3-5-14/h1-5,10-11,16-17H,6-9,12-13H2,(H,23,24).
What are the key properties of 2-benzylsulfanyl-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide?
2-benzylsulfanyl-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide has a molecular weight of 391.92 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide is sourced from PubChem (CID 90633748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).