N-[[(2R)-oxolan-2-yl]methyl]-3-thiophen-2-ylbenzamide

C16H17NO2S — CID 7316196

IUPACN-[[(2R)-oxolan-2-yl]methyl]-3-thiophen-2-ylbenzamide
SMILESO=C(NC[C@H]1CCCO1)c1cccc(-c2cccs2)c1
InChIInChI=1S/C16H17NO2S/c18-16(17-11-14-6-2-8-19-14)13-5-1-4-12(10-13)15-7-3-9-20-15/h1,3-5,7,9-10,14H,2,6,8,11H2,(H,17,18)/t14-/m1/s1
InChIKeyZNIIKTZORBYTET-CQSZACIVSA-N
MW287.38 g/mol
LogP3.32
Rot. Bonds4

About N-[[(2R)-oxolan-2-yl]methyl]-3-thiophen-2-ylbenzamide

N-[[(2R)-oxolan-2-yl]methyl]-3-thiophen-2-ylbenzamide (PubChem CID 7316196) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-3-thiophen-2-ylbenzamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-3-thiophen-2-ylbenzamide
PubChem CID7316196
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-3-thiophen-2-ylbenzamide
SMILESO=C(NC[C@H]1CCCO1)c1cccc(-c2cccs2)c1
InChIInChI=1S/C16H17NO2S/c18-16(17-11-14-6-2-8-19-14)13-5-1-4-12(10-13)15-7-3-9-20-15/h1,3-5,7,9-10,14H,2,6,8,11H2,(H,17,18)/t14-/m1/s1
InChIKeyZNIIKTZORBYTET-CQSZACIVSA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-2-ylmethyl)-6-thiophen-2-ylpyridine-3-carboxamide
CID 71830129
N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide
CID 110486700
3-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109050678
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 110372204
N-[[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide
CID 42579611
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
2-oxo-N-(oxolan-2-ylmethyl)-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 110331976
3-amino-N-(oxan-2-ylmethyl)benzamide
CID 55013985
N-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide
CID 42579530
3-(1-methyltetrazol-5-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 75767622
3-[6-(cyclopentylamino)pyridazin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125436416
3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 966750

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-3-thiophen-2-ylbenzamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-3-thiophen-2-ylbenzamide (CID 7316196) is N-[[(2R)-oxolan-2-yl]methyl]-3-thiophen-2-ylbenzamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-3-thiophen-2-ylbenzamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-3-thiophen-2-ylbenzamide is O=C(NC[C@H]1CCCO1)c1cccc(-c2cccs2)c1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-3-thiophen-2-ylbenzamide?
The InChIKey is ZNIIKTZORBYTET-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17NO2S/c18-16(17-11-14-6-2-8-19-14)13-5-1-4-12(10-13)15-7-3-9-20-15/h1,3-5,7,9-10,14H,2,6,8,11H2,(H,17,18)/t14-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-3-thiophen-2-ylbenzamide?
N-[[(2R)-oxolan-2-yl]methyl]-3-thiophen-2-ylbenzamide has a molecular weight of 287.38 g/mol, XLogP of 3.32, 4 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]-3-thiophen-2-ylbenzamide is sourced from PubChem (CID 7316196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).