N-[2-[5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide

C19H23ClN2O3S2 — CID 138997961

About N-[2-[5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide

N-[2-[5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide (PubChem CID 138997961) has the molecular formula C19H23ClN2O3S2 and a molecular weight of 426.99 g/mol. Its IUPAC name is N-[2-[5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[2-[5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide
• PubChem CID: 138997961
• Molecular Formula: C19H23ClN2O3S2
• Molecular Weight: 426.99 g/mol
• Exact Mass: 426.08
• IUPAC Name: N-[2-[5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide
• SMILES: CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N2CCc3ccc(Cl)cc32)s1
• InChI: InChI=1S/C19H23ClN2O3S2/c1-19(2,3)18(23)21-10-8-15-6-7-17(26-15)27(24,25)22-11-9-13-4-5-14(20)12-16(13)22/h4-7,12H,8-11H2,1-3H3,(H,21,23)
• InChIKey: HWBSKVRUKLVHFY-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.99
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide?

The IUPAC name of N-[2-[5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide (CID 138997961) is N-[2-[5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide.

What is the SMILES notation for N-[2-[5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide?

The canonical SMILES for N-[2-[5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N2CCc3ccc(Cl)cc32)s1.

What is the InChIKey of N-[2-[5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide?

The InChIKey is HWBSKVRUKLVHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S2/c1-19(2,3)18(23)21-10-8-15-6-7-17(26-15)27(24,25)22-11-9-13-4-5-14(20)12-16(13)22/h4-7,12H,8-11H2,1-3H3,(H,21,23).

What are the key properties of N-[2-[5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide?

N-[2-[5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 426.99 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 138997961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).