[4-(2-hydroxyethylsulfanyl)phenyl]-(2-methyl-3-morpholin-2-ylphenyl)methanone

C20H23NO3S — CID 175555988

IUPAC[4-(2-hydroxyethylsulfanyl)phenyl]-(2-methyl-3-morpholin-2-ylphenyl)methanone
SMILESCc1c(C(=O)c2ccc(SCCO)cc2)cccc1C1CNCCO1
InChIInChI=1S/C20H23NO3S/c1-14-17(19-13-21-9-11-24-19)3-2-4-18(14)20(23)15-5-7-16(8-6-15)25-12-10-22/h2-8,19,21-22H,9-13H2,1H3
InChIKeyMMINYAQQGLVRDC-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.97
Rot. Bonds6

About [4-(2-hydroxyethylsulfanyl)phenyl]-(2-methyl-3-morpholin-2-ylphenyl)methanone

[4-(2-hydroxyethylsulfanyl)phenyl]-(2-methyl-3-morpholin-2-ylphenyl)methanone (PubChem CID 175555988) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is [4-(2-hydroxyethylsulfanyl)phenyl]-(2-methyl-3-morpholin-2-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxyethylsulfanyl)phenyl]-(2-methyl-3-morpholin-2-ylphenyl)methanone
PubChem CID175555988
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC Name[4-(2-hydroxyethylsulfanyl)phenyl]-(2-methyl-3-morpholin-2-ylphenyl)methanone
SMILESCc1c(C(=O)c2ccc(SCCO)cc2)cccc1C1CNCCO1
InChIInChI=1S/C20H23NO3S/c1-14-17(19-13-21-9-11-24-19)3-2-4-18(14)20(23)15-5-7-16(8-6-15)25-12-10-22/h2-8,19,21-22H,9-13H2,1H3
InChIKeyMMINYAQQGLVRDC-UHFFFAOYSA-N
XLogP2.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethylsulfanyl)phenyl]-(2-methyl-3-morpholin-2-ylphenyl)methanone?
The IUPAC name of [4-(2-hydroxyethylsulfanyl)phenyl]-(2-methyl-3-morpholin-2-ylphenyl)methanone (CID 175555988) is [4-(2-hydroxyethylsulfanyl)phenyl]-(2-methyl-3-morpholin-2-ylphenyl)methanone.
What is the SMILES notation for [4-(2-hydroxyethylsulfanyl)phenyl]-(2-methyl-3-morpholin-2-ylphenyl)methanone?
The canonical SMILES for [4-(2-hydroxyethylsulfanyl)phenyl]-(2-methyl-3-morpholin-2-ylphenyl)methanone is Cc1c(C(=O)c2ccc(SCCO)cc2)cccc1C1CNCCO1.
What is the InChIKey of [4-(2-hydroxyethylsulfanyl)phenyl]-(2-methyl-3-morpholin-2-ylphenyl)methanone?
The InChIKey is MMINYAQQGLVRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-14-17(19-13-21-9-11-24-19)3-2-4-18(14)20(23)15-5-7-16(8-6-15)25-12-10-22/h2-8,19,21-22H,9-13H2,1H3.
What are the key properties of [4-(2-hydroxyethylsulfanyl)phenyl]-(2-methyl-3-morpholin-2-ylphenyl)methanone?
[4-(2-hydroxyethylsulfanyl)phenyl]-(2-methyl-3-morpholin-2-ylphenyl)methanone has a molecular weight of 357.48 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethylsulfanyl)phenyl]-(2-methyl-3-morpholin-2-ylphenyl)methanone is sourced from PubChem (CID 175555988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).