3-cyano-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzamide

C18H18N2O2S — CID 51981233

IUPAC3-cyano-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzamide
SMILESN#Cc1cccc(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)c1
InChIInChI=1S/C18H18N2O2S/c19-11-14-4-1-5-15(10-14)18(21)20(12-16-6-2-8-22-16)13-17-7-3-9-23-17/h1,3-5,7,9-10,16H,2,6,8,12-13H2/t16-/m1/s1
InChIKeyPPSABWLUVMAZTN-MRXNPFEDSA-N
MW326.42 g/mol
LogP3.44
Rot. Bonds5

About 3-cyano-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzamide

3-cyano-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 51981233) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-cyano-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzamide
PubChem CID51981233
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name3-cyano-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzamide
SMILESN#Cc1cccc(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)c1
InChIInChI=1S/C18H18N2O2S/c19-11-14-4-1-5-15(10-14)18(21)20(12-16-6-2-8-22-16)13-17-7-3-9-23-17/h1,3-5,7,9-10,16H,2,6,8,12-13H2/t16-/m1/s1
InChIKeyPPSABWLUVMAZTN-MRXNPFEDSA-N
XLogP3.44
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-iodo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 55389165
3,4-difluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60601065
N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 95287975
3-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 37484481
N-(3-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055119
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
N-(oxolan-2-ylmethyl)-4-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 55438197
1-[[(2R)-oxolan-2-yl]methyl]-3-prop-2-ynyl-1-(thiophen-2-ylmethyl)urea
CID 94179313
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(oxolan-2-ylmethyl)benzamide
CID 4274481
2-chloro-4,5-difluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 55521414
4-(1,3-dithian-2-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 78810036
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzamide
CID 55389257

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-cyano-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzamide (CID 51981233) is 3-cyano-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-cyano-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-cyano-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzamide is N#Cc1cccc(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)c1.
What is the InChIKey of 3-cyano-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is PPSABWLUVMAZTN-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18N2O2S/c19-11-14-4-1-5-15(10-14)18(21)20(12-16-6-2-8-22-16)13-17-7-3-9-23-17/h1,3-5,7,9-10,16H,2,6,8,12-13H2/t16-/m1/s1.
What are the key properties of 3-cyano-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzamide?
3-cyano-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 326.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 51981233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).