2-chloro-N-[2-[4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide

C28H24Cl2N2O4S — CID 71957674

About 2-chloro-N-[2-[4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide

2-chloro-N-[2-[4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 71957674) has the molecular formula C28H24Cl2N2O4S and a molecular weight of 555.48 g/mol. Its IUPAC name is 2-chloro-N-[2-[4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[2-[4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide
• PubChem CID: 71957674
• Molecular Formula: C28H24Cl2N2O4S
• Molecular Weight: 555.48 g/mol
• Exact Mass: 554.08
• IUPAC Name: 2-chloro-N-[2-[4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide
• SMILES: O=C(c1ccccc1Cl)N(CC(=O)N1CCc2sccc2C1COc1ccc(Cl)cc1)Cc1ccco1
• InChI: InChI=1S/C28H24Cl2N2O4S/c29-19-7-9-20(10-8-19)36-18-25-23-12-15-37-26(23)11-13-32(25)27(33)17-31(16-21-4-3-14-35-21)28(34)22-5-1-2-6-24(22)30/h1-10,12,14-15,25H,11,13,16-18H2
• InChIKey: SROZJZMAEDMRJT-UHFFFAOYSA-N
• XLogP: 6.50
• TPSA: 62.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.48
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide?

The IUPAC name of 2-chloro-N-[2-[4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide (CID 71957674) is 2-chloro-N-[2-[4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide.

What is the SMILES notation for 2-chloro-N-[2-[4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide?

The canonical SMILES for 2-chloro-N-[2-[4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide is O=C(c1ccccc1Cl)N(CC(=O)N1CCc2sccc2C1COc1ccc(Cl)cc1)Cc1ccco1.

What is the InChIKey of 2-chloro-N-[2-[4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide?

The InChIKey is SROZJZMAEDMRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2N2O4S/c29-19-7-9-20(10-8-19)36-18-25-23-12-15-37-26(23)11-13-32(25)27(33)17-31(16-21-4-3-14-35-21)28(34)22-5-1-2-6-24(22)30/h1-10,12,14-15,25H,11,13,16-18H2.

What are the key properties of 2-chloro-N-[2-[4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide?

2-chloro-N-[2-[4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 555.48 g/mol, XLogP of 6.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[2-[4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 71957674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).