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

C29H27N3O3S — CID 118732651

IUPAC6-benzyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESNC(=O)c1c(NC(=O)c2ccc(OCc3ccccc3)cc2)sc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C29H27N3O3S/c30-27(33)26-24-15-16-32(17-20-7-3-1-4-8-20)18-25(24)36-29(26)31-28(34)22-11-13-23(14-12-22)35-19-21-9-5-2-6-10-21/h1-14H,15-19H2,(H2,30,33)(H,31,34)
InChIKeyLSBVBBNLQFEUPG-UHFFFAOYSA-N
MW497.62 g/mol
LogP5.24
Rot. Bonds8

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

6-benzyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 118732651) has the molecular formula C29H27N3O3S and a molecular weight of 497.62 g/mol. Its IUPAC name is 6-benzyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-benzyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID118732651
Molecular FormulaC29H27N3O3S
Molecular Weight497.62 g/mol
Exact Mass497.18
IUPAC Name6-benzyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESNC(=O)c1c(NC(=O)c2ccc(OCc3ccccc3)cc2)sc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C29H27N3O3S/c30-27(33)26-24-15-16-32(17-20-7-3-1-4-8-20)18-25(24)36-29(26)31-28(34)22-11-13-23(14-12-22)35-19-21-9-5-2-6-10-21/h1-14H,15-19H2,(H2,30,33)(H,31,34)
InChIKeyLSBVBBNLQFEUPG-UHFFFAOYSA-N
XLogP5.24
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.62
LogP ≤ 55.24
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-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-benzyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 118732651) is 6-benzyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-benzyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-benzyl-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(Cc1ccccc1)C2.
What is the InChIKey of 6-benzyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is LSBVBBNLQFEUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O3S/c30-27(33)26-24-15-16-32(17-20-7-3-1-4-8-20)18-25(24)36-29(26)31-28(34)22-11-13-23(14-12-22)35-19-21-9-5-2-6-10-21/h1-14H,15-19H2,(H2,30,33)(H,31,34).
What are the key properties of 6-benzyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-benzyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 497.62 g/mol, XLogP of 5.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118732651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).