N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenylacetamide;hydrochloride

C19H22ClN3OS — CID 16798214

IUPACN-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenylacetamide;hydrochloride
SMILESCC(C)N1CCc2c(sc(NC(=O)Cc3ccccc3)c2C#N)C1.Cl
InChIInChI=1S/C19H21N3OS.ClH/c1-13(2)22-9-8-15-16(11-20)19(24-17(15)12-22)21-18(23)10-14-6-4-3-5-7-14;/h3-7,13H,8-10,12H2,1-2H3,(H,21,23);1H
InChIKeyMNAGPJCCJQGMOD-UHFFFAOYSA-N
MW375.93 g/mol
LogP3.99
Rot. Bonds4

About N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenylacetamide;hydrochloride

N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenylacetamide;hydrochloride (PubChem CID 16798214) has the molecular formula C19H22ClN3OS and a molecular weight of 375.93 g/mol. Its IUPAC name is N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenylacetamide;hydrochloride
PubChem CID16798214
Molecular FormulaC19H22ClN3OS
Molecular Weight375.93 g/mol
Exact Mass375.12
IUPAC NameN-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenylacetamide;hydrochloride
SMILESCC(C)N1CCc2c(sc(NC(=O)Cc3ccccc3)c2C#N)C1.Cl
InChIInChI=1S/C19H21N3OS.ClH/c1-13(2)22-9-8-15-16(11-20)19(24-17(15)12-22)21-18(23)10-14-6-4-3-5-7-14;/h3-7,13H,8-10,12H2,1-2H3,(H,21,23);1H
InChIKeyMNAGPJCCJQGMOD-UHFFFAOYSA-N
XLogP3.99
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.93
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenylacetamide;hydrochloride?
The IUPAC name of N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenylacetamide;hydrochloride (CID 16798214) is N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenylacetamide;hydrochloride.
What is the SMILES notation for N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenylacetamide;hydrochloride?
The canonical SMILES for N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenylacetamide;hydrochloride is CC(C)N1CCc2c(sc(NC(=O)Cc3ccccc3)c2C#N)C1.Cl.
What is the InChIKey of N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenylacetamide;hydrochloride?
The InChIKey is MNAGPJCCJQGMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS.ClH/c1-13(2)22-9-8-15-16(11-20)19(24-17(15)12-22)21-18(23)10-14-6-4-3-5-7-14;/h3-7,13H,8-10,12H2,1-2H3,(H,21,23);1H.
What are the key properties of N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenylacetamide;hydrochloride?
N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenylacetamide;hydrochloride has a molecular weight of 375.93 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 16798214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).