N-[6-benzyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(dimethylsulfamoyl)benzamide

C28H32N4O5S2 — CID 23992475

About N-[6-benzyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(dimethylsulfamoyl)benzamide

N-[6-benzyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(dimethylsulfamoyl)benzamide (PubChem CID 23992475) has the molecular formula C28H32N4O5S2 and a molecular weight of 568.72 g/mol. Its IUPAC name is N-[6-benzyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

• Compound Name: N-[6-benzyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(dimethylsulfamoyl)benzamide
• PubChem CID: 23992475
• Molecular Formula: C28H32N4O5S2
• Molecular Weight: 568.72 g/mol
• Exact Mass: 568.18
• IUPAC Name: N-[6-benzyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(dimethylsulfamoyl)benzamide
• SMILES: CN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCN(Cc2ccccc2)C3)cc1
• InChI: InChI=1S/C28H32N4O5S2/c1-30(2)39(35,36)22-10-8-21(9-11-22)26(33)29-27-25(28(34)32-14-16-37-17-15-32)23-12-13-31(19-24(23)38-27)18-20-6-4-3-5-7-20/h3-11H,12-19H2,1-2H3,(H,29,33)
• InChIKey: MRGLRCZMZHCNPB-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 99.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.72
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-benzyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(dimethylsulfamoyl)benzamide?

The IUPAC name of N-[6-benzyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(dimethylsulfamoyl)benzamide (CID 23992475) is N-[6-benzyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(dimethylsulfamoyl)benzamide.

What is the SMILES notation for N-[6-benzyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(dimethylsulfamoyl)benzamide?

The canonical SMILES for N-[6-benzyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCN(Cc2ccccc2)C3)cc1.

What is the InChIKey of N-[6-benzyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(dimethylsulfamoyl)benzamide?

The InChIKey is MRGLRCZMZHCNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O5S2/c1-30(2)39(35,36)22-10-8-21(9-11-22)26(33)29-27-25(28(34)32-14-16-37-17-15-32)23-12-13-31(19-24(23)38-27)18-20-6-4-3-5-7-20/h3-11H,12-19H2,1-2H3,(H,29,33).

What are the key properties of N-[6-benzyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(dimethylsulfamoyl)benzamide?

N-[6-benzyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(dimethylsulfamoyl)benzamide has a molecular weight of 568.72 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-benzyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 23992475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).