(2R)-N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)pyrrolidine-2-carboxamide;hydrochloride

C25H22ClN3O3S — CID 67533726

IUPAC(2R)-N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(c1ccccc1)c1c(NC(=O)[C@H]2CCCN2)sc2c1ccc(=O)n2-c1ccccc1
InChIInChI=1S/C25H21N3O3S.ClH/c29-20-14-13-18-21(22(30)16-8-3-1-4-9-16)24(27-23(31)19-12-7-15-26-19)32-25(18)28(20)17-10-5-2-6-11-17;/h1-6,8-11,13-14,19,26H,7,12,15H2,(H,27,31);1H/t19-;/m1./s1
InChIKeyVRDHYWMBPLXNMT-FSRHSHDFSA-N
MW479.99 g/mol
LogP4.40
Rot. Bonds5

About (2R)-N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)pyrrolidine-2-carboxamide;hydrochloride

(2R)-N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 67533726) has the molecular formula C25H22ClN3O3S and a molecular weight of 479.99 g/mol. Its IUPAC name is (2R)-N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID67533726
Molecular FormulaC25H22ClN3O3S
Molecular Weight479.99 g/mol
Exact Mass479.11
IUPAC Name(2R)-N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(c1ccccc1)c1c(NC(=O)[C@H]2CCCN2)sc2c1ccc(=O)n2-c1ccccc1
InChIInChI=1S/C25H21N3O3S.ClH/c29-20-14-13-18-21(22(30)16-8-3-1-4-9-16)24(27-23(31)19-12-7-15-26-19)32-25(18)28(20)17-10-5-2-6-11-17;/h1-6,8-11,13-14,19,26H,7,12,15H2,(H,27,31);1H/t19-;/m1./s1
InChIKeyVRDHYWMBPLXNMT-FSRHSHDFSA-N
XLogP4.40
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.99
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)pyrrolidine-2-carboxamide;hydrochloride with MolForge

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Related Compounds

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N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
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2-[2-(pyrrolidine-2-carbonylamino)phenyl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R)-N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)pyrrolidine-2-carboxamide;hydrochloride (CID 67533726) is (2R)-N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R)-N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R)-N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(c1ccccc1)c1c(NC(=O)[C@H]2CCCN2)sc2c1ccc(=O)n2-c1ccccc1.
What is the InChIKey of (2R)-N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is VRDHYWMBPLXNMT-FSRHSHDFSA-N. The full InChI is InChI=1S/C25H21N3O3S.ClH/c29-20-14-13-18-21(22(30)16-8-3-1-4-9-16)24(27-23(31)19-12-7-15-26-19)32-25(18)28(20)17-10-5-2-6-11-17;/h1-6,8-11,13-14,19,26H,7,12,15H2,(H,27,31);1H/t19-;/m1./s1.
What are the key properties of (2R)-N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)pyrrolidine-2-carboxamide;hydrochloride?
(2R)-N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 479.99 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 67533726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).