(2R)-2-cyano-2-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide

C14H11N3OS — CID 126211490

IUPAC(2R)-2-cyano-2-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
SMILESN#C[C@H](C(=O)N/N=C\c1cccs1)c1ccccc1
InChIInChI=1S/C14H11N3OS/c15-9-13(11-5-2-1-3-6-11)14(18)17-16-10-12-7-4-8-19-12/h1-8,10,13H,(H,17,18)/b16-10-/t13-/m0/s1
InChIKeyGVVRHDSHVNFRSL-ATTDUZETSA-N
MW269.33 g/mol
LogP2.51
Rot. Bonds4

About (2R)-2-cyano-2-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide

(2R)-2-cyano-2-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide (PubChem CID 126211490) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is (2R)-2-cyano-2-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name(2R)-2-cyano-2-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
PubChem CID126211490
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name(2R)-2-cyano-2-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
SMILESN#C[C@H](C(=O)N/N=C\c1cccs1)c1ccccc1
InChIInChI=1S/C14H11N3OS/c15-9-13(11-5-2-1-3-6-11)14(18)17-16-10-12-7-4-8-19-12/h1-8,10,13H,(H,17,18)/b16-10-/t13-/m0/s1
InChIKeyGVVRHDSHVNFRSL-ATTDUZETSA-N
XLogP2.51
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-2-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
The IUPAC name of (2R)-2-cyano-2-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide (CID 126211490) is (2R)-2-cyano-2-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide.
What is the SMILES notation for (2R)-2-cyano-2-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
The canonical SMILES for (2R)-2-cyano-2-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is N#C[C@H](C(=O)N/N=C\c1cccs1)c1ccccc1.
What is the InChIKey of (2R)-2-cyano-2-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
The InChIKey is GVVRHDSHVNFRSL-ATTDUZETSA-N. The full InChI is InChI=1S/C14H11N3OS/c15-9-13(11-5-2-1-3-6-11)14(18)17-16-10-12-7-4-8-19-12/h1-8,10,13H,(H,17,18)/b16-10-/t13-/m0/s1.
What are the key properties of (2R)-2-cyano-2-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
(2R)-2-cyano-2-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide has a molecular weight of 269.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-2-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 126211490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).