2-[5-(4-methoxybenzoyl)thiophen-2-yl]acetonitrile

C14H11NO2S — CID 2764155

IUPAC2-[5-(4-methoxybenzoyl)thiophen-2-yl]acetonitrile
SMILESCOc1ccc(C(=O)c2ccc(CC#N)s2)cc1
InChIInChI=1S/C14H11NO2S/c1-17-11-4-2-10(3-5-11)14(16)13-7-6-12(18-13)8-9-15/h2-7H,8H2,1H3
InChIKeyIZPNLJLNKZVUKS-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.05
Rot. Bonds4

About 2-[5-(4-methoxybenzoyl)thiophen-2-yl]acetonitrile

2-[5-(4-methoxybenzoyl)thiophen-2-yl]acetonitrile (PubChem CID 2764155) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[5-(4-methoxybenzoyl)thiophen-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-(4-methoxybenzoyl)thiophen-2-yl]acetonitrile
PubChem CID2764155
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Name2-[5-(4-methoxybenzoyl)thiophen-2-yl]acetonitrile
SMILESCOc1ccc(C(=O)c2ccc(CC#N)s2)cc1
InChIInChI=1S/C14H11NO2S/c1-17-11-4-2-10(3-5-11)14(16)13-7-6-12(18-13)8-9-15/h2-7H,8H2,1H3
InChIKeyIZPNLJLNKZVUKS-UHFFFAOYSA-N
XLogP3.05
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Methoxyphenyl)-4-cyano-5-(isopropylthio)thiophene-2-carboxylic acid (1j)
CID 71522036
(2-Amino-5-ethyl-3-thienyl)(4-methoxyphenyl)methanone
CID 2814015
Ethyl 4-[5-(5-methyl-2-thienyl)-5-oxo-pentoxy]benzoate
CID 3007749
2-[5-(4-methoxybenzoyl)thiophen-2-yl]acetic Acid
CID 3509505
4-(4-Methoxybenzoyl)thiophene-2-sulfonamide
CID 14639069
2,2,2-Trifluoro-1-[5-(4-methoxyphenyl)thiophen-2-yl]ethanone
CID 44543407
2-Ethyl-3-(4-methoxybenzoyl)benzo[b]-thiophene
CID 129781980
4-(4-Methoxyphenyl)-5-methylthiophene-2-carboxylic acid
CID 3865966
3-(4-Methoxyphenyl)-1-(2-thienyl)-2-propen-1-one
CID 5723925
5-(4-Methoxyphenyl)thiophene-2-carbaldehyde
CID 2797800
(2E)-5-Methoxy-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-inden-1-one (11i)
CID 122172780
4-Acetylphenyl 2-thiophenecarboxylate
CID 766060

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxybenzoyl)thiophen-2-yl]acetonitrile?
The IUPAC name of 2-[5-(4-methoxybenzoyl)thiophen-2-yl]acetonitrile (CID 2764155) is 2-[5-(4-methoxybenzoyl)thiophen-2-yl]acetonitrile.
What is the SMILES notation for 2-[5-(4-methoxybenzoyl)thiophen-2-yl]acetonitrile?
The canonical SMILES for 2-[5-(4-methoxybenzoyl)thiophen-2-yl]acetonitrile is COc1ccc(C(=O)c2ccc(CC#N)s2)cc1.
What is the InChIKey of 2-[5-(4-methoxybenzoyl)thiophen-2-yl]acetonitrile?
The InChIKey is IZPNLJLNKZVUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c1-17-11-4-2-10(3-5-11)14(16)13-7-6-12(18-13)8-9-15/h2-7H,8H2,1H3.
What are the key properties of 2-[5-(4-methoxybenzoyl)thiophen-2-yl]acetonitrile?
2-[5-(4-methoxybenzoyl)thiophen-2-yl]acetonitrile has a molecular weight of 257.31 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxybenzoyl)thiophen-2-yl]acetonitrile is sourced from PubChem (CID 2764155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).