4-amino-5-benzoyl-2-morpholin-4-ylthiophene-3-carbonitrile

C16H15N3O2S — CID 1489052

IUPAC4-amino-5-benzoyl-2-morpholin-4-ylthiophene-3-carbonitrile
SMILESN#Cc1c(N2CCOCC2)sc(C(=O)c2ccccc2)c1N
InChIInChI=1S/C16H15N3O2S/c17-10-12-13(18)15(14(20)11-4-2-1-3-5-11)22-16(12)19-6-8-21-9-7-19/h1-5H,6-9,18H2
InChIKeyGKMONTGZZRQGJM-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.27
Rot. Bonds3

About 4-amino-5-benzoyl-2-morpholin-4-ylthiophene-3-carbonitrile

4-amino-5-benzoyl-2-morpholin-4-ylthiophene-3-carbonitrile (PubChem CID 1489052) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-amino-5-benzoyl-2-morpholin-4-ylthiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-5-benzoyl-2-morpholin-4-ylthiophene-3-carbonitrile
PubChem CID1489052
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name4-amino-5-benzoyl-2-morpholin-4-ylthiophene-3-carbonitrile
SMILESN#Cc1c(N2CCOCC2)sc(C(=O)c2ccccc2)c1N
InChIInChI=1S/C16H15N3O2S/c17-10-12-13(18)15(14(20)11-4-2-1-3-5-11)22-16(12)19-6-8-21-9-7-19/h1-5H,6-9,18H2
InChIKeyGKMONTGZZRQGJM-UHFFFAOYSA-N
XLogP2.27
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-benzoyl-2-morpholin-4-ylthiophene-3-carbonitrile?
The IUPAC name of 4-amino-5-benzoyl-2-morpholin-4-ylthiophene-3-carbonitrile (CID 1489052) is 4-amino-5-benzoyl-2-morpholin-4-ylthiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-5-benzoyl-2-morpholin-4-ylthiophene-3-carbonitrile?
The canonical SMILES for 4-amino-5-benzoyl-2-morpholin-4-ylthiophene-3-carbonitrile is N#Cc1c(N2CCOCC2)sc(C(=O)c2ccccc2)c1N.
What is the InChIKey of 4-amino-5-benzoyl-2-morpholin-4-ylthiophene-3-carbonitrile?
The InChIKey is GKMONTGZZRQGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c17-10-12-13(18)15(14(20)11-4-2-1-3-5-11)22-16(12)19-6-8-21-9-7-19/h1-5H,6-9,18H2.
What are the key properties of 4-amino-5-benzoyl-2-morpholin-4-ylthiophene-3-carbonitrile?
4-amino-5-benzoyl-2-morpholin-4-ylthiophene-3-carbonitrile has a molecular weight of 313.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-benzoyl-2-morpholin-4-ylthiophene-3-carbonitrile is sourced from PubChem (CID 1489052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).