2-[(2-phenylacetyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride

C19H24ClN3O2S — CID 16806340

IUPAC2-[(2-phenylacetyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
SMILESCC(C)N1CCc2c(sc(NC(=O)Cc3ccccc3)c2C(N)=O)C1.Cl
InChIInChI=1S/C19H23N3O2S.ClH/c1-12(2)22-9-8-14-15(11-22)25-19(17(14)18(20)24)21-16(23)10-13-6-4-3-5-7-13;/h3-7,12H,8-11H2,1-2H3,(H2,20,24)(H,21,23);1H
InChIKeyUBPOVHMICNQANF-UHFFFAOYSA-N
MW393.94 g/mol
LogP3.22
Rot. Bonds5

About 2-[(2-phenylacetyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride

2-[(2-phenylacetyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (PubChem CID 16806340) has the molecular formula C19H24ClN3O2S and a molecular weight of 393.94 g/mol. Its IUPAC name is 2-[(2-phenylacetyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[(2-phenylacetyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
PubChem CID16806340
Molecular FormulaC19H24ClN3O2S
Molecular Weight393.94 g/mol
Exact Mass393.13
IUPAC Name2-[(2-phenylacetyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
SMILESCC(C)N1CCc2c(sc(NC(=O)Cc3ccccc3)c2C(N)=O)C1.Cl
InChIInChI=1S/C19H23N3O2S.ClH/c1-12(2)22-9-8-14-15(11-22)25-19(17(14)18(20)24)21-16(23)10-13-6-4-3-5-7-13;/h3-7,12H,8-11H2,1-2H3,(H2,20,24)(H,21,23);1H
InChIKeyUBPOVHMICNQANF-UHFFFAOYSA-N
XLogP3.22
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylacetyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 2-[(2-phenylacetyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (CID 16806340) is 2-[(2-phenylacetyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-[(2-phenylacetyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 2-[(2-phenylacetyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is CC(C)N1CCc2c(sc(NC(=O)Cc3ccccc3)c2C(N)=O)C1.Cl.
What is the InChIKey of 2-[(2-phenylacetyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The InChIKey is UBPOVHMICNQANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S.ClH/c1-12(2)22-9-8-14-15(11-22)25-19(17(14)18(20)24)21-16(23)10-13-6-4-3-5-7-13;/h3-7,12H,8-11H2,1-2H3,(H2,20,24)(H,21,23);1H.
What are the key properties of 2-[(2-phenylacetyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
2-[(2-phenylacetyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride has a molecular weight of 393.94 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylacetyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 16806340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).