N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-thiophen-2-ylacetamide

C18H21NO3S — CID 91771876

IUPACN-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N[C@@H]1CCOC[C@H]1OCc1ccccc1
InChIInChI=1S/C18H21NO3S/c20-18(11-15-7-4-10-23-15)19-16-8-9-21-13-17(16)22-12-14-5-2-1-3-6-14/h1-7,10,16-17H,8-9,11-13H2,(H,19,20)/t16-,17-/m1/s1
InChIKeyIQXRRHHYZFCKBP-IAGOWNOFSA-N
MW331.44 g/mol
LogP2.78
Rot. Bonds6

About N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-thiophen-2-ylacetamide

N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-thiophen-2-ylacetamide (PubChem CID 91771876) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-thiophen-2-ylacetamide
PubChem CID91771876
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC NameN-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N[C@@H]1CCOC[C@H]1OCc1ccccc1
InChIInChI=1S/C18H21NO3S/c20-18(11-15-7-4-10-23-15)19-16-8-9-21-13-17(16)22-12-14-5-2-1-3-6-14/h1-7,10,16-17H,8-9,11-13H2,(H,19,20)/t16-,17-/m1/s1
InChIKeyIQXRRHHYZFCKBP-IAGOWNOFSA-N
XLogP2.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
CID 91760467
N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-2-thiophen-2-ylacetamide
CID 91791487
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-piperidin-1-ylacetamide
CID 91786681
2-(methanesulfonamido)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
CID 91782131
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-pyrazin-2-ylacetamide
CID 91792659
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-3-piperidin-1-ylpropanamide
CID 91766954
3-(2-amino-1,3-thiazol-4-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
CID 91761236
4-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]piperazine-1-carboxamide
CID 91785748
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-(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

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-thiophen-2-ylacetamide (CID 91771876) is N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)N[C@@H]1CCOC[C@H]1OCc1ccccc1.
What is the InChIKey of N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-thiophen-2-ylacetamide?
The InChIKey is IQXRRHHYZFCKBP-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H21NO3S/c20-18(11-15-7-4-10-23-15)19-16-8-9-21-13-17(16)22-12-14-5-2-1-3-6-14/h1-7,10,16-17H,8-9,11-13H2,(H,19,20)/t16-,17-/m1/s1.
What are the key properties of N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-thiophen-2-ylacetamide?
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-thiophen-2-ylacetamide has a molecular weight of 331.44 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 91771876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).