N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-ethylsulfanylbenzamide

C20H23NO2S — CID 95379414

IUPACN-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)NC[C@@](O)(c1ccccc1)C1CC1
InChIInChI=1S/C20H23NO2S/c1-2-24-18-11-7-6-10-17(18)19(22)21-14-20(23,16-12-13-16)15-8-4-3-5-9-15/h3-11,16,23H,2,12-14H2,1H3,(H,21,22)/t20-/m1/s1
InChIKeyCCIMDBCBDLPJBG-HXUWFJFHSA-N
MW341.48 g/mol
LogP3.83
Rot. Bonds7

About N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-ethylsulfanylbenzamide

N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-ethylsulfanylbenzamide (PubChem CID 95379414) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-ethylsulfanylbenzamide
PubChem CID95379414
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC NameN-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)NC[C@@](O)(c1ccccc1)C1CC1
InChIInChI=1S/C20H23NO2S/c1-2-24-18-11-7-6-10-17(18)19(22)21-14-20(23,16-12-13-16)15-8-4-3-5-9-15/h3-11,16,23H,2,12-14H2,1H3,(H,21,22)/t20-/m1/s1
InChIKeyCCIMDBCBDLPJBG-HXUWFJFHSA-N
XLogP3.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-ethylsulfanylbenzamide?
The IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-ethylsulfanylbenzamide (CID 95379414) is N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-ethylsulfanylbenzamide.
What is the SMILES notation for N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-ethylsulfanylbenzamide?
The canonical SMILES for N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-ethylsulfanylbenzamide is CCSc1ccccc1C(=O)NC[C@@](O)(c1ccccc1)C1CC1.
What is the InChIKey of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-ethylsulfanylbenzamide?
The InChIKey is CCIMDBCBDLPJBG-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-2-24-18-11-7-6-10-17(18)19(22)21-14-20(23,16-12-13-16)15-8-4-3-5-9-15/h3-11,16,23H,2,12-14H2,1H3,(H,21,22)/t20-/m1/s1.
What are the key properties of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-ethylsulfanylbenzamide?
N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-ethylsulfanylbenzamide has a molecular weight of 341.48 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-ethylsulfanylbenzamide is sourced from PubChem (CID 95379414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).