2-(methanesulfonamido)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide

C15H22N2O5S — CID 91782131

IUPAC2-(methanesulfonamido)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
SMILESCS(=O)(=O)NCC(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1
InChIInChI=1S/C15H22N2O5S/c1-23(19,20)16-9-15(18)17-13-7-8-21-11-14(13)22-10-12-5-3-2-4-6-12/h2-6,13-14,16H,7-11H2,1H3,(H,17,18)/t13-,14-/m1/s1
InChIKeyFDBIANIAALDZNL-ZIAGYGMSSA-N
MW342.42 g/mol
LogP0.03
Rot. Bonds7

About 2-(methanesulfonamido)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide

2-(methanesulfonamido)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide (PubChem CID 91782131) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(methanesulfonamido)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
PubChem CID91782131
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-(methanesulfonamido)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
SMILESCS(=O)(=O)NCC(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1
InChIInChI=1S/C15H22N2O5S/c1-23(19,20)16-9-15(18)17-13-7-8-21-11-14(13)22-10-12-5-3-2-4-6-12/h2-6,13-14,16H,7-11H2,1H3,(H,17,18)/t13-,14-/m1/s1
InChIKeyFDBIANIAALDZNL-ZIAGYGMSSA-N
XLogP0.03
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
CID 91760467
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-thiophen-2-ylacetamide
CID 91771876
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-piperidin-1-ylacetamide
CID 91786681
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-3-piperidin-1-ylpropanamide
CID 91766954
4-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]piperazine-1-carboxamide
CID 91785748
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-pyrazin-2-ylacetamide
CID 91792659
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-4-pyrazolidin-4-ylbutanamide
CID 133268380
4-(hydroxymethyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
CID 91795848
3-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide
CID 91775648
3-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
CID 91793611
3-(oxazinan-2-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
CID 91795731
3-(2-amino-1,3-thiazol-4-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
CID 91761236

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide?
The IUPAC name of 2-(methanesulfonamido)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide (CID 91782131) is 2-(methanesulfonamido)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide.
What is the SMILES notation for 2-(methanesulfonamido)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide?
The canonical SMILES for 2-(methanesulfonamido)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide is CS(=O)(=O)NCC(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1.
What is the InChIKey of 2-(methanesulfonamido)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide?
The InChIKey is FDBIANIAALDZNL-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-23(19,20)16-9-15(18)17-13-7-8-21-11-14(13)22-10-12-5-3-2-4-6-12/h2-6,13-14,16H,7-11H2,1H3,(H,17,18)/t13-,14-/m1/s1.
What are the key properties of 2-(methanesulfonamido)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide?
2-(methanesulfonamido)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide has a molecular weight of 342.42 g/mol, XLogP of 0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide is sourced from PubChem (CID 91782131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).