6-benzyl-2-[(4-phenoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C28H25N3O3S — CID 4225631

IUPAC6-benzyl-2-[(4-phenoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESNC(=O)c1c(NC(=O)c2ccc(Oc3ccccc3)cc2)sc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C28H25N3O3S/c29-26(32)25-23-15-16-31(17-19-7-3-1-4-8-19)18-24(23)35-28(25)30-27(33)20-11-13-22(14-12-20)34-21-9-5-2-6-10-21/h1-14H,15-18H2,(H2,29,32)(H,30,33)
InChIKeyKGZBOANCVGZWGF-UHFFFAOYSA-N
MW483.59 g/mol
LogP5.45
Rot. Bonds7

About 6-benzyl-2-[(4-phenoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-benzyl-2-[(4-phenoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 4225631) has the molecular formula C28H25N3O3S and a molecular weight of 483.59 g/mol. Its IUPAC name is 6-benzyl-2-[(4-phenoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-benzyl-2-[(4-phenoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID4225631
Molecular FormulaC28H25N3O3S
Molecular Weight483.59 g/mol
Exact Mass483.16
IUPAC Name6-benzyl-2-[(4-phenoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESNC(=O)c1c(NC(=O)c2ccc(Oc3ccccc3)cc2)sc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C28H25N3O3S/c29-26(32)25-23-15-16-31(17-19-7-3-1-4-8-19)18-24(23)35-28(25)30-27(33)20-11-13-22(14-12-20)34-21-9-5-2-6-10-21/h1-14H,15-18H2,(H2,29,32)(H,30,33)
InChIKeyKGZBOANCVGZWGF-UHFFFAOYSA-N
XLogP5.45
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.59
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-[(4-phenoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-benzyl-2-[(4-phenoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 4225631) is 6-benzyl-2-[(4-phenoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-benzyl-2-[(4-phenoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-benzyl-2-[(4-phenoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is NC(=O)c1c(NC(=O)c2ccc(Oc3ccccc3)cc2)sc2c1CCN(Cc1ccccc1)C2.
What is the InChIKey of 6-benzyl-2-[(4-phenoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is KGZBOANCVGZWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O3S/c29-26(32)25-23-15-16-31(17-19-7-3-1-4-8-19)18-24(23)35-28(25)30-27(33)20-11-13-22(14-12-20)34-21-9-5-2-6-10-21/h1-14H,15-18H2,(H2,29,32)(H,30,33).
What are the key properties of 6-benzyl-2-[(4-phenoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-benzyl-2-[(4-phenoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 483.59 g/mol, XLogP of 5.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-[(4-phenoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 4225631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).