N-butyl-2-[(3S)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)acetamide

C15H23NO2S — CID 126451018

IUPACN-butyl-2-[(3S)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)acetamide
SMILESCCCCN(Cc1ccsc1)C(=O)C[C@@H]1CCOC1
InChIInChI=1S/C15H23NO2S/c1-2-3-6-16(10-14-5-8-19-12-14)15(17)9-13-4-7-18-11-13/h5,8,12-13H,2-4,6-7,9-11H2,1H3/t13-/m0/s1
InChIKeyMUYHSVHLZAGCNP-ZDUSSCGKSA-N
MW281.42 g/mol
LogP3.30
Rot. Bonds7

About N-butyl-2-[(3S)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)acetamide

N-butyl-2-[(3S)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 126451018) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-butyl-2-[(3S)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-butyl-2-[(3S)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)acetamide
PubChem CID126451018
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-butyl-2-[(3S)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)acetamide
SMILESCCCCN(Cc1ccsc1)C(=O)C[C@@H]1CCOC1
InChIInChI=1S/C15H23NO2S/c1-2-3-6-16(10-14-5-8-19-12-14)15(17)9-13-4-7-18-11-13/h5,8,12-13H,2-4,6-7,9-11H2,1H3/t13-/m0/s1
InChIKeyMUYHSVHLZAGCNP-ZDUSSCGKSA-N
XLogP3.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-butyl-N-(thiophen-3-ylmethyl)propanamide
CID 46984908
N,N-dimethyl-N'-[[(3R)-oxolan-3-yl]methyl]-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 95046355
N-(2-methoxyethyl)-2-[(3S)-pyrrolidin-3-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 99960024
N-[(3-hydroxyphenyl)methyl]-N-methyl-2-[(3R)-oxolan-3-yl]acetamide
CID 125462794
N-butyl-N-ethyl-3-thiophen-3-ylpropanamide
CID 86978752
N-butyl-2-(5-piperidin-3-ylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride
CID 154905007
N-cyclopropyl-1-[(3R)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)methanesulfonamide
CID 95317371
N-(3-aminopropyl)-N-benzyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120649694
(3R)-N-phenyl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
CID 124592121
(3S)-N-phenyl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
CID 124592122
N-butyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylacetamide
CID 106612363
N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(oxan-4-yl)acetamide
CID 75470667

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(3S)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of N-butyl-2-[(3S)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)acetamide (CID 126451018) is N-butyl-2-[(3S)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for N-butyl-2-[(3S)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for N-butyl-2-[(3S)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)acetamide is CCCCN(Cc1ccsc1)C(=O)C[C@@H]1CCOC1.
What is the InChIKey of N-butyl-2-[(3S)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is MUYHSVHLZAGCNP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-2-3-6-16(10-14-5-8-19-12-14)15(17)9-13-4-7-18-11-13/h5,8,12-13H,2-4,6-7,9-11H2,1H3/t13-/m0/s1.
What are the key properties of N-butyl-2-[(3S)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)acetamide?
N-butyl-2-[(3S)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 281.42 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(3S)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 126451018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).