2-ethylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide

C19H23N3O2S — CID 90633335

IUPAC2-ethylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
SMILESCCSc1ccccc1C(=O)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C19H23N3O2S/c1-2-25-17-7-4-3-6-16(17)18(23)22-14-8-10-15(11-9-14)24-19-20-12-5-13-21-19/h3-7,12-15H,2,8-11H2,1H3,(H,22,23)
InChIKeyYENJPYPVGLBUBN-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.71
Rot. Bonds6

About 2-ethylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide

2-ethylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide (PubChem CID 90633335) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
PubChem CID90633335
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name2-ethylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
SMILESCCSc1ccccc1C(=O)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C19H23N3O2S/c1-2-25-17-7-4-3-6-16(17)18(23)22-14-8-10-15(11-9-14)24-19-20-12-5-13-21-19/h3-7,12-15H,2,8-11H2,1H3,(H,22,23)
InChIKeyYENJPYPVGLBUBN-UHFFFAOYSA-N
XLogP3.71
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633334
(2-ethylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558763
N-(4-pyrimidin-2-yloxycyclohexyl)-2-(trifluoromethyl)benzamide
CID 90633279
5-chloro-2-methoxy-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633270
1-ethyl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633499
N-(4-pyrimidin-2-yloxycyclohexyl)quinoxaline-2-carboxamide
CID 90633350
2-pyridin-4-ylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 90633440
2-(difluoromethylsulfanyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634865
N-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide
CID 90633284
3-phenyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 90633193
2-benzylsulfanyl-N-cyclopropylbenzamide
CID 41455363
1-(2-phenylethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 91626320

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide?
The IUPAC name of 2-ethylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide (CID 90633335) is 2-ethylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide is CCSc1ccccc1C(=O)NC1CCC(Oc2ncccn2)CC1.
What is the InChIKey of 2-ethylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide?
The InChIKey is YENJPYPVGLBUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-2-25-17-7-4-3-6-16(17)18(23)22-14-8-10-15(11-9-14)24-19-20-12-5-13-21-19/h3-7,12-15H,2,8-11H2,1H3,(H,22,23).
What are the key properties of 2-ethylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide?
2-ethylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide has a molecular weight of 357.48 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide is sourced from PubChem (CID 90633335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).