2-ethylsulfanyl-N-(2-hydroxy-3-phenylpropyl)benzamide

C18H21NO2S — CID 56765276

IUPAC2-ethylsulfanyl-N-(2-hydroxy-3-phenylpropyl)benzamide
SMILESCCSc1ccccc1C(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C18H21NO2S/c1-2-22-17-11-7-6-10-16(17)18(21)19-13-15(20)12-14-8-4-3-5-9-14/h3-11,15,20H,2,12-13H2,1H3,(H,19,21)
InChIKeyYYVMBCJXGNXXRR-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.13
Rot. Bonds7

About 2-ethylsulfanyl-N-(2-hydroxy-3-phenylpropyl)benzamide

2-ethylsulfanyl-N-(2-hydroxy-3-phenylpropyl)benzamide (PubChem CID 56765276) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(2-hydroxy-3-phenylpropyl)benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(2-hydroxy-3-phenylpropyl)benzamide
PubChem CID56765276
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name2-ethylsulfanyl-N-(2-hydroxy-3-phenylpropyl)benzamide
SMILESCCSc1ccccc1C(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C18H21NO2S/c1-2-22-17-11-7-6-10-16(17)18(21)19-13-15(20)12-14-8-4-3-5-9-14/h3-11,15,20H,2,12-13H2,1H3,(H,19,21)
InChIKeyYYVMBCJXGNXXRR-UHFFFAOYSA-N
XLogP3.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(2-hydroxy-3-phenylpropyl)benzamide?
The IUPAC name of 2-ethylsulfanyl-N-(2-hydroxy-3-phenylpropyl)benzamide (CID 56765276) is 2-ethylsulfanyl-N-(2-hydroxy-3-phenylpropyl)benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-(2-hydroxy-3-phenylpropyl)benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-(2-hydroxy-3-phenylpropyl)benzamide is CCSc1ccccc1C(=O)NCC(O)Cc1ccccc1.
What is the InChIKey of 2-ethylsulfanyl-N-(2-hydroxy-3-phenylpropyl)benzamide?
The InChIKey is YYVMBCJXGNXXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-2-22-17-11-7-6-10-16(17)18(21)19-13-15(20)12-14-8-4-3-5-9-14/h3-11,15,20H,2,12-13H2,1H3,(H,19,21).
What are the key properties of 2-ethylsulfanyl-N-(2-hydroxy-3-phenylpropyl)benzamide?
2-ethylsulfanyl-N-(2-hydroxy-3-phenylpropyl)benzamide has a molecular weight of 315.44 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(2-hydroxy-3-phenylpropyl)benzamide is sourced from PubChem (CID 56765276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).