(3S)-N-benzyl-N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]oxolane-3-carboxamide

C18H21NO3S — CID 97054048

IUPAC(3S)-N-benzyl-N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]oxolane-3-carboxamide
SMILESO=C([C@H]1CCOC1)N(Cc1ccccc1)C[C@H](O)c1cccs1
InChIInChI=1S/C18H21NO3S/c20-16(17-7-4-10-23-17)12-19(11-14-5-2-1-3-6-14)18(21)15-8-9-22-13-15/h1-7,10,15-16,20H,8-9,11-13H2/t15-,16-/m0/s1
InChIKeyAKOJJLOYSDCWMH-HOTGVXAUSA-N
MW331.44 g/mol
LogP2.85
Rot. Bonds6

About (3S)-N-benzyl-N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]oxolane-3-carboxamide

(3S)-N-benzyl-N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]oxolane-3-carboxamide (PubChem CID 97054048) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is (3S)-N-benzyl-N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-benzyl-N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]oxolane-3-carboxamide
PubChem CID97054048
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name(3S)-N-benzyl-N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]oxolane-3-carboxamide
SMILESO=C([C@H]1CCOC1)N(Cc1ccccc1)C[C@H](O)c1cccs1
InChIInChI=1S/C18H21NO3S/c20-16(17-7-4-10-23-17)12-19(11-14-5-2-1-3-6-14)18(21)15-8-9-22-13-15/h1-7,10,15-16,20H,8-9,11-13H2/t15-,16-/m0/s1
InChIKeyAKOJJLOYSDCWMH-HOTGVXAUSA-N
XLogP2.85
TPSA49.77 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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 119816673
3-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119816672
(2S)-2-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119342483
(3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 95203771
N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119816686
N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)-3-piperidin-4-ylbutanamide
CID 119816685
N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 71974354
N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-phenylphenyl)methyl]oxolane-3-carboxamide
CID 42785999
N-benzyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97054031
N-benzyl-N-propan-2-yloxane-3-carboxamide
CID 110855554
(3R)-3-[[(3S)-oxolane-3-carbonyl]amino]-3-thiophen-2-ylpropanoic acid
CID 124704357
(3S)-3-[[(3S)-oxolane-3-carbonyl]amino]-3-thiophen-2-ylpropanoic acid
CID 124700640

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzyl-N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-benzyl-N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]oxolane-3-carboxamide (CID 97054048) is (3S)-N-benzyl-N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-benzyl-N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-benzyl-N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]oxolane-3-carboxamide is O=C([C@H]1CCOC1)N(Cc1ccccc1)C[C@H](O)c1cccs1.
What is the InChIKey of (3S)-N-benzyl-N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]oxolane-3-carboxamide?
The InChIKey is AKOJJLOYSDCWMH-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H21NO3S/c20-16(17-7-4-10-23-17)12-19(11-14-5-2-1-3-6-14)18(21)15-8-9-22-13-15/h1-7,10,15-16,20H,8-9,11-13H2/t15-,16-/m0/s1.
What are the key properties of (3S)-N-benzyl-N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]oxolane-3-carboxamide?
(3S)-N-benzyl-N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]oxolane-3-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzyl-N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]oxolane-3-carboxamide is sourced from PubChem (CID 97054048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).