N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide

C21H17N3O4S2 — CID 90012224

About N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide

N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 90012224) has the molecular formula C21H17N3O4S2 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
• PubChem CID: 90012224
• Molecular Formula: C21H17N3O4S2
• Molecular Weight: 439.52 g/mol
• Exact Mass: 439.07
• IUPAC Name: N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
• SMILES: COc1cncc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4s3)cc2)c1
• InChI: InChI=1S/C21H17N3O4S2/c1-28-16-9-18(12-23-11-16)30(26,27)17-4-2-14(3-5-17)10-24-21(25)19-8-15-6-7-22-13-20(15)29-19/h2-9,11-13H,10H2,1H3,(H,24,25)
• InChIKey: IQNUTOMDWLCHCZ-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 98.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.52
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?

The IUPAC name of N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (CID 90012224) is N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is COc1cncc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4s3)cc2)c1.

What is the InChIKey of N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?

The InChIKey is IQNUTOMDWLCHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4S2/c1-28-16-9-18(12-23-11-16)30(26,27)17-4-2-14(3-5-17)10-24-21(25)19-8-15-6-7-22-13-20(15)29-19/h2-9,11-13H,10H2,1H3,(H,24,25).

What are the key properties of N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?

N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90012224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).