2-[3-(methanesulfonamido)phenyl]-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]acetamide

C20H18N4O3S2 — CID 11539162

About 2-[3-(methanesulfonamido)phenyl]-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]acetamide

2-[3-(methanesulfonamido)phenyl]-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]acetamide (PubChem CID 11539162) has the molecular formula C20H18N4O3S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-[3-(methanesulfonamido)phenyl]-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[3-(methanesulfonamido)phenyl]-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]acetamide
• PubChem CID: 11539162
• Molecular Formula: C20H18N4O3S2
• Molecular Weight: 426.52 g/mol
• Exact Mass: 426.08
• IUPAC Name: 2-[3-(methanesulfonamido)phenyl]-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]acetamide
• SMILES: CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(-c3c[nH]c4ncccc34)cs2)c1
• InChI: InChI=1S/C20H18N4O3S2/c1-29(26,27)24-15-5-2-4-13(8-15)9-18(25)23-19-10-14(12-28-19)17-11-22-20-16(17)6-3-7-21-20/h2-8,10-12,24H,9H2,1H3,(H,21,22)(H,23,25)
• InChIKey: VKVXZAHHNUGIGN-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 103.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.52
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methanesulfonamido)phenyl]-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]acetamide?

The IUPAC name of 2-[3-(methanesulfonamido)phenyl]-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]acetamide (CID 11539162) is 2-[3-(methanesulfonamido)phenyl]-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]acetamide.

What is the SMILES notation for 2-[3-(methanesulfonamido)phenyl]-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]acetamide?

The canonical SMILES for 2-[3-(methanesulfonamido)phenyl]-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]acetamide is CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(-c3c[nH]c4ncccc34)cs2)c1.

What is the InChIKey of 2-[3-(methanesulfonamido)phenyl]-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]acetamide?

The InChIKey is VKVXZAHHNUGIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S2/c1-29(26,27)24-15-5-2-4-13(8-15)9-18(25)23-19-10-14(12-28-19)17-11-22-20-16(17)6-3-7-21-20/h2-8,10-12,24H,9H2,1H3,(H,21,22)(H,23,25).

What are the key properties of 2-[3-(methanesulfonamido)phenyl]-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]acetamide?

2-[3-(methanesulfonamido)phenyl]-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]acetamide has a molecular weight of 426.52 g/mol, XLogP of 3.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(methanesulfonamido)phenyl]-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]acetamide is sourced from PubChem (CID 11539162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).