(2R)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-phenylsulfanylbutanamide

C17H25NO2S — CID 95621072

IUPAC(2R)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-phenylsulfanylbutanamide
SMILESCC[C@@H](Sc1ccccc1)C(=O)N(CC)C[C@@H]1CCOC1
InChIInChI=1S/C17H25NO2S/c1-3-16(21-15-8-6-5-7-9-15)17(19)18(4-2)12-14-10-11-20-13-14/h5-9,14,16H,3-4,10-13H2,1-2H3/t14-,16+/m0/s1
InChIKeyKOUBQTUJQYEDID-GOEBONIOSA-N
MW307.46 g/mol
LogP3.44
Rot. Bonds7

About (2R)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-phenylsulfanylbutanamide

(2R)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-phenylsulfanylbutanamide (PubChem CID 95621072) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is (2R)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-phenylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-phenylsulfanylbutanamide
PubChem CID95621072
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name(2R)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-phenylsulfanylbutanamide
SMILESCC[C@@H](Sc1ccccc1)C(=O)N(CC)C[C@@H]1CCOC1
InChIInChI=1S/C17H25NO2S/c1-3-16(21-15-8-6-5-7-9-15)17(19)18(4-2)12-14-10-11-20-13-14/h5-9,14,16H,3-4,10-13H2,1-2H3/t14-,16+/m0/s1
InChIKeyKOUBQTUJQYEDID-GOEBONIOSA-N
XLogP3.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-2-pyridin-2-ylsulfanylpropanamide
CID 97030699
(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)-4-phenylbutanamide
CID 104984084
N-ethyl-N-(oxolan-3-ylmethyl)-2-(4-phenylphenoxy)propanamide
CID 55744625
N-ethyl-2-(N-ethylanilino)-N-(oxolan-3-ylmethyl)acetamide
CID 51097037
3-amino-N-ethyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide
CID 60953285
(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide
CID 61148831
3-amino-N-ethyl-2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 62668913
1-ethyl-3-naphthalen-1-yl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 94139207
2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(oxolan-3-ylmethyl)propanamide
CID 76894991
N-ethyl-2-iodo-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 113223582
N-ethyl-2-oxo-N-[[(3S)-oxolan-3-yl]methyl]-6-phenyl-1H-pyridine-3-carboxamide
CID 95977130
2-amino-N-ethyl-N-(oxolan-3-ylmethyl)hexanamide
CID 54874277

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-phenylsulfanylbutanamide?
The IUPAC name of (2R)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-phenylsulfanylbutanamide (CID 95621072) is (2R)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-phenylsulfanylbutanamide.
What is the SMILES notation for (2R)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-phenylsulfanylbutanamide?
The canonical SMILES for (2R)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-phenylsulfanylbutanamide is CC[C@@H](Sc1ccccc1)C(=O)N(CC)C[C@@H]1CCOC1.
What is the InChIKey of (2R)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-phenylsulfanylbutanamide?
The InChIKey is KOUBQTUJQYEDID-GOEBONIOSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-3-16(21-15-8-6-5-7-9-15)17(19)18(4-2)12-14-10-11-20-13-14/h5-9,14,16H,3-4,10-13H2,1-2H3/t14-,16+/m0/s1.
What are the key properties of (2R)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-phenylsulfanylbutanamide?
(2R)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-phenylsulfanylbutanamide has a molecular weight of 307.46 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-phenylsulfanylbutanamide is sourced from PubChem (CID 95621072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).