N-[[(2R)-oxolan-2-yl]methyl]-2-[(S)-[(1R)-1-phenylpropyl]sulfinyl]acetamide

C16H23NO3S — CID 124736028

IUPACN-[[(2R)-oxolan-2-yl]methyl]-2-[(S)-[(1R)-1-phenylpropyl]sulfinyl]acetamide
SMILESCC[C@H](c1ccccc1)[S@@](=O)CC(=O)NC[C@H]1CCCO1
InChIInChI=1S/C16H23NO3S/c1-2-15(13-7-4-3-5-8-13)21(19)12-16(18)17-11-14-9-6-10-20-14/h3-5,7-8,14-15H,2,6,9-12H2,1H3,(H,17,18)/t14-,15-,21+/m1/s1
InChIKeyOGTHKTCLBCGCIL-PZPWOCDFSA-N
MW309.43 g/mol
LogP2.18
Rot. Bonds7

About N-[[(2R)-oxolan-2-yl]methyl]-2-[(S)-[(1R)-1-phenylpropyl]sulfinyl]acetamide

N-[[(2R)-oxolan-2-yl]methyl]-2-[(S)-[(1R)-1-phenylpropyl]sulfinyl]acetamide (PubChem CID 124736028) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-2-[(S)-[(1R)-1-phenylpropyl]sulfinyl]acetamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-2-[(S)-[(1R)-1-phenylpropyl]sulfinyl]acetamide
PubChem CID124736028
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-2-[(S)-[(1R)-1-phenylpropyl]sulfinyl]acetamide
SMILESCC[C@H](c1ccccc1)[S@@](=O)CC(=O)NC[C@H]1CCCO1
InChIInChI=1S/C16H23NO3S/c1-2-15(13-7-4-3-5-8-13)21(19)12-16(18)17-11-14-9-6-10-20-14/h3-5,7-8,14-15H,2,6,9-12H2,1H3,(H,17,18)/t14-,15-,21+/m1/s1
InChIKeyOGTHKTCLBCGCIL-PZPWOCDFSA-N
XLogP2.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122236
(3S)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122235
N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide
CID 109015820
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,2-diphenylacetate
CID 16523743
N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide
CID 17201904
2-[cyclopropyl-[(2S)-2-hydroxy-2-phenylethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 129421269
1-(oxolan-2-ylmethyl)-3-(1-phenylpropyl)thiourea
CID 19675335
1-benzhydryl-N-[[(2S)-oxolan-2-yl]methyl]azetidine-3-carboxamide
CID 29135523
3-amino-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119670098
2-ethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanamide
CID 112991314
N-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-phenylbutan-1-amine
CID 106496380
1-N-(oxolan-2-ylmethyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108973227

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-2-[(S)-[(1R)-1-phenylpropyl]sulfinyl]acetamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-2-[(S)-[(1R)-1-phenylpropyl]sulfinyl]acetamide (CID 124736028) is N-[[(2R)-oxolan-2-yl]methyl]-2-[(S)-[(1R)-1-phenylpropyl]sulfinyl]acetamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-2-[(S)-[(1R)-1-phenylpropyl]sulfinyl]acetamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-2-[(S)-[(1R)-1-phenylpropyl]sulfinyl]acetamide is CC[C@H](c1ccccc1)[S@@](=O)CC(=O)NC[C@H]1CCCO1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-2-[(S)-[(1R)-1-phenylpropyl]sulfinyl]acetamide?
The InChIKey is OGTHKTCLBCGCIL-PZPWOCDFSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-2-15(13-7-4-3-5-8-13)21(19)12-16(18)17-11-14-9-6-10-20-14/h3-5,7-8,14-15H,2,6,9-12H2,1H3,(H,17,18)/t14-,15-,21+/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-2-[(S)-[(1R)-1-phenylpropyl]sulfinyl]acetamide?
N-[[(2R)-oxolan-2-yl]methyl]-2-[(S)-[(1R)-1-phenylpropyl]sulfinyl]acetamide has a molecular weight of 309.43 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-2-[(S)-[(1R)-1-phenylpropyl]sulfinyl]acetamide is sourced from PubChem (CID 124736028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).