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

C24H23N3O4S — CID 118732648

IUPAC6-acetyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)c3ccc(OCc4ccccc4)cc3)c2C(N)=O)C1
InChIInChI=1S/C24H23N3O4S/c1-15(28)27-12-11-19-20(13-27)32-24(21(19)22(25)29)26-23(30)17-7-9-18(10-8-17)31-14-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H2,25,29)(H,26,30)
InChIKeyDEZZNMHSEKPOTG-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.58
Rot. Bonds6

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

6-acetyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 118732648) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 6-acetyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-acetyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID118732648
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name6-acetyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)c3ccc(OCc4ccccc4)cc3)c2C(N)=O)C1
InChIInChI=1S/C24H23N3O4S/c1-15(28)27-12-11-19-20(13-27)32-24(21(19)22(25)29)26-23(30)17-7-9-18(10-8-17)31-14-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H2,25,29)(H,26,30)
InChIKeyDEZZNMHSEKPOTG-UHFFFAOYSA-N
XLogP3.58
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-acetyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 118732648) is 6-acetyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-acetyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-acetyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CC(=O)N1CCc2c(sc(NC(=O)c3ccc(OCc4ccccc4)cc3)c2C(N)=O)C1.
What is the InChIKey of 6-acetyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is DEZZNMHSEKPOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-15(28)27-12-11-19-20(13-27)32-24(21(19)22(25)29)26-23(30)17-7-9-18(10-8-17)31-14-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H2,25,29)(H,26,30).
What are the key properties of 6-acetyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-acetyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-[(4-phenylmethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118732648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).