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

C29H25N3O4S — CID 118732647

IUPAC6-benzoyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESNC(=O)c1c(NC(=O)c2ccc(OCc3ccccc3)cc2)sc2c1CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C29H25N3O4S/c30-26(33)25-23-15-16-32(29(35)21-9-5-2-6-10-21)17-24(23)37-28(25)31-27(34)20-11-13-22(14-12-20)36-18-19-7-3-1-4-8-19/h1-14H,15-18H2,(H2,30,33)(H,31,34)
InChIKeyHWMIDZUYOOWAFU-UHFFFAOYSA-N
MW511.60 g/mol
LogP4.88
Rot. Bonds7

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

6-benzoyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 118732647) has the molecular formula C29H25N3O4S and a molecular weight of 511.60 g/mol. Its IUPAC name is 6-benzoyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-benzoyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID118732647
Molecular FormulaC29H25N3O4S
Molecular Weight511.60 g/mol
Exact Mass511.16
IUPAC Name6-benzoyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESNC(=O)c1c(NC(=O)c2ccc(OCc3ccccc3)cc2)sc2c1CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C29H25N3O4S/c30-26(33)25-23-15-16-32(29(35)21-9-5-2-6-10-21)17-24(23)37-28(25)31-27(34)20-11-13-22(14-12-20)36-18-19-7-3-1-4-8-19/h1-14H,15-18H2,(H2,30,33)(H,31,34)
InChIKeyHWMIDZUYOOWAFU-UHFFFAOYSA-N
XLogP4.88
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.60
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzoyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-benzoyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 118732647) is 6-benzoyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-benzoyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-benzoyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is NC(=O)c1c(NC(=O)c2ccc(OCc3ccccc3)cc2)sc2c1CCN(C(=O)c1ccccc1)C2.
What is the InChIKey of 6-benzoyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is HWMIDZUYOOWAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O4S/c30-26(33)25-23-15-16-32(29(35)21-9-5-2-6-10-21)17-24(23)37-28(25)31-27(34)20-11-13-22(14-12-20)36-18-19-7-3-1-4-8-19/h1-14H,15-18H2,(H2,30,33)(H,31,34).
What are the key properties of 6-benzoyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-benzoyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 511.60 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118732647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).