5-hydroxy-5-[3-[(1-hydroxycyclohexyl)methylsulfanyl]phenyl]pentanamide

C18H27NO3S — CID 67135102

IUPAC5-hydroxy-5-[3-[(1-hydroxycyclohexyl)methylsulfanyl]phenyl]pentanamide
SMILESNC(=O)CCCC(O)c1cccc(SCC2(O)CCCCC2)c1
InChIInChI=1S/C18H27NO3S/c19-17(21)9-5-8-16(20)14-6-4-7-15(12-14)23-13-18(22)10-2-1-3-11-18/h4,6-7,12,16,20,22H,1-3,5,8-11,13H2,(H2,19,21)
InChIKeyWRUKKARNVWJOFA-UHFFFAOYSA-N
MW337.49 g/mol
LogP3.16
Rot. Bonds8

About 5-hydroxy-5-[3-[(1-hydroxycyclohexyl)methylsulfanyl]phenyl]pentanamide

5-hydroxy-5-[3-[(1-hydroxycyclohexyl)methylsulfanyl]phenyl]pentanamide (PubChem CID 67135102) has the molecular formula C18H27NO3S and a molecular weight of 337.49 g/mol. Its IUPAC name is 5-hydroxy-5-[3-[(1-hydroxycyclohexyl)methylsulfanyl]phenyl]pentanamide.

Molecular Properties

Compound Name5-hydroxy-5-[3-[(1-hydroxycyclohexyl)methylsulfanyl]phenyl]pentanamide
PubChem CID67135102
Molecular FormulaC18H27NO3S
Molecular Weight337.49 g/mol
Exact Mass337.17
IUPAC Name5-hydroxy-5-[3-[(1-hydroxycyclohexyl)methylsulfanyl]phenyl]pentanamide
SMILESNC(=O)CCCC(O)c1cccc(SCC2(O)CCCCC2)c1
InChIInChI=1S/C18H27NO3S/c19-17(21)9-5-8-16(20)14-6-4-7-15(12-14)23-13-18(22)10-2-1-3-11-18/h4,6-7,12,16,20,22H,1-3,5,8-11,13H2,(H2,19,21)
InChIKeyWRUKKARNVWJOFA-UHFFFAOYSA-N
XLogP3.16
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-[3-[(1-hydroxycyclohexyl)methylsulfanyl]phenyl]pentanamide?
The IUPAC name of 5-hydroxy-5-[3-[(1-hydroxycyclohexyl)methylsulfanyl]phenyl]pentanamide (CID 67135102) is 5-hydroxy-5-[3-[(1-hydroxycyclohexyl)methylsulfanyl]phenyl]pentanamide.
What is the SMILES notation for 5-hydroxy-5-[3-[(1-hydroxycyclohexyl)methylsulfanyl]phenyl]pentanamide?
The canonical SMILES for 5-hydroxy-5-[3-[(1-hydroxycyclohexyl)methylsulfanyl]phenyl]pentanamide is NC(=O)CCCC(O)c1cccc(SCC2(O)CCCCC2)c1.
What is the InChIKey of 5-hydroxy-5-[3-[(1-hydroxycyclohexyl)methylsulfanyl]phenyl]pentanamide?
The InChIKey is WRUKKARNVWJOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3S/c19-17(21)9-5-8-16(20)14-6-4-7-15(12-14)23-13-18(22)10-2-1-3-11-18/h4,6-7,12,16,20,22H,1-3,5,8-11,13H2,(H2,19,21).
What are the key properties of 5-hydroxy-5-[3-[(1-hydroxycyclohexyl)methylsulfanyl]phenyl]pentanamide?
5-hydroxy-5-[3-[(1-hydroxycyclohexyl)methylsulfanyl]phenyl]pentanamide has a molecular weight of 337.49 g/mol, XLogP of 3.16, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-[3-[(1-hydroxycyclohexyl)methylsulfanyl]phenyl]pentanamide is sourced from PubChem (CID 67135102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).