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

C18H22ClN3O2S — CID 16806338

IUPAC6-ethyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
SMILESCCN1CCc2c(sc(NC(=O)Cc3ccccc3)c2C(N)=O)C1.Cl
InChIInChI=1S/C18H21N3O2S.ClH/c1-2-21-9-8-13-14(11-21)24-18(16(13)17(19)23)20-15(22)10-12-6-4-3-5-7-12;/h3-7H,2,8-11H2,1H3,(H2,19,23)(H,20,22);1H
InChIKeyNKIJNHXKWHWTTH-UHFFFAOYSA-N
MW379.91 g/mol
LogP2.83
Rot. Bonds5

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

6-ethyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (PubChem CID 16806338) has the molecular formula C18H22ClN3O2S and a molecular weight of 379.91 g/mol. Its IUPAC name is 6-ethyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-ethyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
PubChem CID16806338
Molecular FormulaC18H22ClN3O2S
Molecular Weight379.91 g/mol
Exact Mass379.11
IUPAC Name6-ethyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
SMILESCCN1CCc2c(sc(NC(=O)Cc3ccccc3)c2C(N)=O)C1.Cl
InChIInChI=1S/C18H21N3O2S.ClH/c1-2-21-9-8-13-14(11-21)24-18(16(13)17(19)23)20-15(22)10-12-6-4-3-5-7-12;/h3-7H,2,8-11H2,1H3,(H2,19,23)(H,20,22);1H
InChIKeyNKIJNHXKWHWTTH-UHFFFAOYSA-N
XLogP2.83
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 6-ethyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (CID 16806338) is 6-ethyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-ethyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 6-ethyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is CCN1CCc2c(sc(NC(=O)Cc3ccccc3)c2C(N)=O)C1.Cl.
What is the InChIKey of 6-ethyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The InChIKey is NKIJNHXKWHWTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S.ClH/c1-2-21-9-8-13-14(11-21)24-18(16(13)17(19)23)20-15(22)10-12-6-4-3-5-7-12;/h3-7H,2,8-11H2,1H3,(H2,19,23)(H,20,22);1H.
What are the key properties of 6-ethyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
6-ethyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride has a molecular weight of 379.91 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 16806338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).