(2S)-2-(benzhydrylamino)-2-thiophen-2-ylacetonitrile

C19H16N2S — CID 67052805

IUPAC(2S)-2-(benzhydrylamino)-2-thiophen-2-ylacetonitrile
SMILESN#C[C@H](NC(c1ccccc1)c1ccccc1)c1cccs1
InChIInChI=1S/C19H16N2S/c20-14-17(18-12-7-13-22-18)21-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,17,19,21H/t17-/m0/s1
InChIKeyTVUXDAOMAWIXBY-KRWDZBQOSA-N
MW304.42 g/mol
LogP4.69
Rot. Bonds5

About (2S)-2-(benzhydrylamino)-2-thiophen-2-ylacetonitrile

(2S)-2-(benzhydrylamino)-2-thiophen-2-ylacetonitrile (PubChem CID 67052805) has the molecular formula C19H16N2S and a molecular weight of 304.42 g/mol. Its IUPAC name is (2S)-2-(benzhydrylamino)-2-thiophen-2-ylacetonitrile.

Molecular Properties

Compound Name(2S)-2-(benzhydrylamino)-2-thiophen-2-ylacetonitrile
PubChem CID67052805
Molecular FormulaC19H16N2S
Molecular Weight304.42 g/mol
Exact Mass304.10
IUPAC Name(2S)-2-(benzhydrylamino)-2-thiophen-2-ylacetonitrile
SMILESN#C[C@H](NC(c1ccccc1)c1ccccc1)c1cccs1
InChIInChI=1S/C19H16N2S/c20-14-17(18-12-7-13-22-18)21-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,17,19,21H/t17-/m0/s1
InChIKeyTVUXDAOMAWIXBY-KRWDZBQOSA-N
XLogP4.69
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzhydrylamino)-2-thiophen-2-ylacetonitrile?
The IUPAC name of (2S)-2-(benzhydrylamino)-2-thiophen-2-ylacetonitrile (CID 67052805) is (2S)-2-(benzhydrylamino)-2-thiophen-2-ylacetonitrile.
What is the SMILES notation for (2S)-2-(benzhydrylamino)-2-thiophen-2-ylacetonitrile?
The canonical SMILES for (2S)-2-(benzhydrylamino)-2-thiophen-2-ylacetonitrile is N#C[C@H](NC(c1ccccc1)c1ccccc1)c1cccs1.
What is the InChIKey of (2S)-2-(benzhydrylamino)-2-thiophen-2-ylacetonitrile?
The InChIKey is TVUXDAOMAWIXBY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H16N2S/c20-14-17(18-12-7-13-22-18)21-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,17,19,21H/t17-/m0/s1.
What are the key properties of (2S)-2-(benzhydrylamino)-2-thiophen-2-ylacetonitrile?
(2S)-2-(benzhydrylamino)-2-thiophen-2-ylacetonitrile has a molecular weight of 304.42 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzhydrylamino)-2-thiophen-2-ylacetonitrile is sourced from PubChem (CID 67052805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).