(3-cyanophenyl)methyl 2-(thiophene-2-carbonylamino)acetate

C15H12N2O3S — CID 7807944

IUPAC(3-cyanophenyl)methyl 2-(thiophene-2-carbonylamino)acetate
SMILESN#Cc1cccc(COC(=O)CNC(=O)c2cccs2)c1
InChIInChI=1S/C15H12N2O3S/c16-8-11-3-1-4-12(7-11)10-20-14(18)9-17-15(19)13-5-2-6-21-13/h1-7H,9-10H2,(H,17,19)
InChIKeyBHZFXGYSFDBDLK-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.09
Rot. Bonds5

About (3-cyanophenyl)methyl 2-(thiophene-2-carbonylamino)acetate

(3-cyanophenyl)methyl 2-(thiophene-2-carbonylamino)acetate (PubChem CID 7807944) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is (3-cyanophenyl)methyl 2-(thiophene-2-carbonylamino)acetate.

Molecular Properties

Compound Name(3-cyanophenyl)methyl 2-(thiophene-2-carbonylamino)acetate
PubChem CID7807944
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name(3-cyanophenyl)methyl 2-(thiophene-2-carbonylamino)acetate
SMILESN#Cc1cccc(COC(=O)CNC(=O)c2cccs2)c1
InChIInChI=1S/C15H12N2O3S/c16-8-11-3-1-4-12(7-11)10-20-14(18)9-17-15(19)13-5-2-6-21-13/h1-7H,9-10H2,(H,17,19)
InChIKeyBHZFXGYSFDBDLK-UHFFFAOYSA-N
XLogP2.09
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]benzoate
CID 957235
(3-cyanophenyl)methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883134
3-(thiophene-2-carbonylamino)propyl 3-cyanobenzoate
CID 84562559
N-[(3-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 47161979
N'-(3-cyanobenzoyl)thiophene-2-carbohydrazide
CID 7979408
(4-fluorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 3158551
naphthalen-1-ylmethyl 2-(thiophene-2-carbonylamino)acetate
CID 926068
(3-fluorophenyl)methyl 4-(thiophene-2-carbonylamino)butanoate
CID 86977749
N-[3-(3-cyanoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497876
benzyl 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetate
CID 27711279
(3-cyanophenyl)methyl 2-(3-aminophenyl)acetate
CID 62499042
N-[(3-cyanophenyl)methyl]-2-thiophen-2-ylacetamide
CID 47162733

Frequently Asked Questions

What is the IUPAC name of (3-cyanophenyl)methyl 2-(thiophene-2-carbonylamino)acetate?
The IUPAC name of (3-cyanophenyl)methyl 2-(thiophene-2-carbonylamino)acetate (CID 7807944) is (3-cyanophenyl)methyl 2-(thiophene-2-carbonylamino)acetate.
What is the SMILES notation for (3-cyanophenyl)methyl 2-(thiophene-2-carbonylamino)acetate?
The canonical SMILES for (3-cyanophenyl)methyl 2-(thiophene-2-carbonylamino)acetate is N#Cc1cccc(COC(=O)CNC(=O)c2cccs2)c1.
What is the InChIKey of (3-cyanophenyl)methyl 2-(thiophene-2-carbonylamino)acetate?
The InChIKey is BHZFXGYSFDBDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c16-8-11-3-1-4-12(7-11)10-20-14(18)9-17-15(19)13-5-2-6-21-13/h1-7H,9-10H2,(H,17,19).
What are the key properties of (3-cyanophenyl)methyl 2-(thiophene-2-carbonylamino)acetate?
(3-cyanophenyl)methyl 2-(thiophene-2-carbonylamino)acetate has a molecular weight of 300.34 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyanophenyl)methyl 2-(thiophene-2-carbonylamino)acetate is sourced from PubChem (CID 7807944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).