4-amino-5-benzoyl-2-propylsulfanylthiophene-3-carbonitrile

C15H14N2OS2 — CID 54293871

IUPAC4-amino-5-benzoyl-2-propylsulfanylthiophene-3-carbonitrile
SMILESCCCSc1sc(C(=O)c2ccccc2)c(N)c1C#N
InChIInChI=1S/C15H14N2OS2/c1-2-8-19-15-11(9-16)12(17)14(20-15)13(18)10-6-4-3-5-7-10/h3-7H,2,8,17H2,1H3
InChIKeyRZKOUKSAVVUKPT-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.94
Rot. Bonds5

About 4-amino-5-benzoyl-2-propylsulfanylthiophene-3-carbonitrile

4-amino-5-benzoyl-2-propylsulfanylthiophene-3-carbonitrile (PubChem CID 54293871) has the molecular formula C15H14N2OS2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-amino-5-benzoyl-2-propylsulfanylthiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-5-benzoyl-2-propylsulfanylthiophene-3-carbonitrile
PubChem CID54293871
Molecular FormulaC15H14N2OS2
Molecular Weight302.42 g/mol
Exact Mass302.05
IUPAC Name4-amino-5-benzoyl-2-propylsulfanylthiophene-3-carbonitrile
SMILESCCCSc1sc(C(=O)c2ccccc2)c(N)c1C#N
InChIInChI=1S/C15H14N2OS2/c1-2-8-19-15-11(9-16)12(17)14(20-15)13(18)10-6-4-3-5-7-10/h3-7H,2,8,17H2,1H3
InChIKeyRZKOUKSAVVUKPT-UHFFFAOYSA-N
XLogP3.94
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-benzoyl-2-propylsulfanylthiophene-3-carbonitrile?
The IUPAC name of 4-amino-5-benzoyl-2-propylsulfanylthiophene-3-carbonitrile (CID 54293871) is 4-amino-5-benzoyl-2-propylsulfanylthiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-5-benzoyl-2-propylsulfanylthiophene-3-carbonitrile?
The canonical SMILES for 4-amino-5-benzoyl-2-propylsulfanylthiophene-3-carbonitrile is CCCSc1sc(C(=O)c2ccccc2)c(N)c1C#N.
What is the InChIKey of 4-amino-5-benzoyl-2-propylsulfanylthiophene-3-carbonitrile?
The InChIKey is RZKOUKSAVVUKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS2/c1-2-8-19-15-11(9-16)12(17)14(20-15)13(18)10-6-4-3-5-7-10/h3-7H,2,8,17H2,1H3.
What are the key properties of 4-amino-5-benzoyl-2-propylsulfanylthiophene-3-carbonitrile?
4-amino-5-benzoyl-2-propylsulfanylthiophene-3-carbonitrile has a molecular weight of 302.42 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-benzoyl-2-propylsulfanylthiophene-3-carbonitrile is sourced from PubChem (CID 54293871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).