5-[4-[(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide

C₂₄H₂₅N₅O₄S₂ — CID 168948288

About 5-[4-[(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide

5-[4-[(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide (PubChem CID 168948288) has the molecular formula C₂₄H₂₅N₅O₄S₂ and a molecular weight of 511.63 g/mol. Its IUPAC name is 5-[4-[(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide
• PubChem CID: 168948288
• Molecular Formula: C₂₄H₂₅N₅O₄S₂
• Molecular Weight: 511.63 g/mol
• Exact Mass: 511.13
• IUPAC Name: 5-[4-[(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide
• SMILES: CN1CCc2sc(S(=O)(=O)NC(=O)Nc3c(-c4ccc(C(N)=O)nc4)ccc4c3CCC4)cc2C1
• InChI: InChI=1S/C24H25N5O4S2/c1-29-10-9-20-16(13-29)11-21(34-20)35(32,33)28-24(31)27-22-17-4-2-3-14(17)5-7-18(22)15-6-8-19(23(25)30)26-12-15/h5-8,11-12H,2-4,9-10,13H2,1H3,(H2,25,30)(H2,27,28,31)
• InChIKey: ZNCHXQCLXMASJF-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 134.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.63
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide?

The IUPAC name of 5-[4-[(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide (CID 168948288) is 5-[4-[(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide.

What is the SMILES notation for 5-[4-[(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide?

The canonical SMILES for 5-[4-[(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide is CN1CCc2sc(S(=O)(=O)NC(=O)Nc3c(-c4ccc(C(N)=O)nc4)ccc4c3CCC4)cc2C1.

What is the InChIKey of 5-[4-[(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide?

The InChIKey is ZNCHXQCLXMASJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4S2/c1-29-10-9-20-16(13-29)11-21(34-20)35(32,33)28-24(31)27-22-17-4-2-3-14(17)5-7-18(22)15-6-8-19(23(25)30)26-12-15/h5-8,11-12H,2-4,9-10,13H2,1H3,(H2,25,30)(H2,27,28,31).

What are the key properties of 5-[4-[(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide?

5-[4-[(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide has a molecular weight of 511.63 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 168948288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 168948288 — identifiers, structure, computed properties (public domain)

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