(2S)-2-(4-benzoylphenyl)-2-thiophen-2-ylacetonitrile

C19H13NOS — CID 1484067

IUPAC(2S)-2-(4-benzoylphenyl)-2-thiophen-2-ylacetonitrile
SMILESN#C[C@H](c1ccc(C(=O)c2ccccc2)cc1)c1cccs1
InChIInChI=1S/C19H13NOS/c20-13-17(18-7-4-12-22-18)14-8-10-16(11-9-14)19(21)15-5-2-1-3-6-15/h1-12,17H/t17-/m1/s1
InChIKeyFYCNBJHENALBRJ-QGZVFWFLSA-N
MW303.39 g/mol
LogP4.63
Rot. Bonds4

About (2S)-2-(4-benzoylphenyl)-2-thiophen-2-ylacetonitrile

(2S)-2-(4-benzoylphenyl)-2-thiophen-2-ylacetonitrile (PubChem CID 1484067) has the molecular formula C19H13NOS and a molecular weight of 303.39 g/mol. Its IUPAC name is (2S)-2-(4-benzoylphenyl)-2-thiophen-2-ylacetonitrile.

Molecular Properties

Compound Name(2S)-2-(4-benzoylphenyl)-2-thiophen-2-ylacetonitrile
PubChem CID1484067
Molecular FormulaC19H13NOS
Molecular Weight303.39 g/mol
Exact Mass303.07
IUPAC Name(2S)-2-(4-benzoylphenyl)-2-thiophen-2-ylacetonitrile
SMILESN#C[C@H](c1ccc(C(=O)c2ccccc2)cc1)c1cccs1
InChIInChI=1S/C19H13NOS/c20-13-17(18-7-4-12-22-18)14-8-10-16(11-9-14)19(21)15-5-2-1-3-6-15/h1-12,17H/t17-/m1/s1
InChIKeyFYCNBJHENALBRJ-QGZVFWFLSA-N
XLogP4.63
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide
CID 17431646
(2S)-2-(2-benzoylphenyl)-2-(4-fluorophenyl)acetonitrile
CID 97170461
diphenylmethanone
CID 3102
(2R)-2-(4-bromophenyl)-2-[4-(4-fluorobenzoyl)phenyl]acetonitrile
CID 1488458
4-cyano-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8853563
2-cyano-2-phenyl-N-(1-thiophen-2-ylethyl)acetamide
CID 55129156
diphenylmethanone;gold
CID 174931146
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
bis(diphenylmethanone);dihydrochloride
CID 69107757
2-[4-[hydroxy(phenyl)methyl]phenyl]-2-phenylacetonitrile
CID 2764122
acetic acid;diphenylmethanone;hydrate
CID 161284686

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-benzoylphenyl)-2-thiophen-2-ylacetonitrile?
The IUPAC name of (2S)-2-(4-benzoylphenyl)-2-thiophen-2-ylacetonitrile (CID 1484067) is (2S)-2-(4-benzoylphenyl)-2-thiophen-2-ylacetonitrile.
What is the SMILES notation for (2S)-2-(4-benzoylphenyl)-2-thiophen-2-ylacetonitrile?
The canonical SMILES for (2S)-2-(4-benzoylphenyl)-2-thiophen-2-ylacetonitrile is N#C[C@H](c1ccc(C(=O)c2ccccc2)cc1)c1cccs1.
What is the InChIKey of (2S)-2-(4-benzoylphenyl)-2-thiophen-2-ylacetonitrile?
The InChIKey is FYCNBJHENALBRJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H13NOS/c20-13-17(18-7-4-12-22-18)14-8-10-16(11-9-14)19(21)15-5-2-1-3-6-15/h1-12,17H/t17-/m1/s1.
What are the key properties of (2S)-2-(4-benzoylphenyl)-2-thiophen-2-ylacetonitrile?
(2S)-2-(4-benzoylphenyl)-2-thiophen-2-ylacetonitrile has a molecular weight of 303.39 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-benzoylphenyl)-2-thiophen-2-ylacetonitrile is sourced from PubChem (CID 1484067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).