2,2-dimethyl-N-[2-[5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]propanamide

C22H30N2O3S2 — CID 139012998

About 2,2-dimethyl-N-[2-[5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]propanamide

2,2-dimethyl-N-[2-[5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]propanamide (PubChem CID 139012998) has the molecular formula C22H30N2O3S2 and a molecular weight of 434.63 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]propanamide.

Molecular Properties

• Compound Name: 2,2-dimethyl-N-[2-[5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]propanamide
• PubChem CID: 139012998
• Molecular Formula: C22H30N2O3S2
• Molecular Weight: 434.63 g/mol
• Exact Mass: 434.17
• IUPAC Name: 2,2-dimethyl-N-[2-[5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]propanamide
• SMILES: CC(C)C1CN(S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)c2ccccc21
• InChI: InChI=1S/C22H30N2O3S2/c1-15(2)18-14-24(19-9-7-6-8-17(18)19)29(26,27)20-11-10-16(28-20)12-13-23-21(25)22(3,4)5/h6-11,15,18H,12-14H2,1-5H3,(H,23,25)
• InChIKey: CJHDMYBHWKCEMC-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.63
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]propanamide?

The IUPAC name of 2,2-dimethyl-N-[2-[5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]propanamide (CID 139012998) is 2,2-dimethyl-N-[2-[5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]propanamide.

What is the SMILES notation for 2,2-dimethyl-N-[2-[5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]propanamide?

The canonical SMILES for 2,2-dimethyl-N-[2-[5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]propanamide is CC(C)C1CN(S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)c2ccccc21.

What is the InChIKey of 2,2-dimethyl-N-[2-[5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]propanamide?

The InChIKey is CJHDMYBHWKCEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S2/c1-15(2)18-14-24(19-9-7-6-8-17(18)19)29(26,27)20-11-10-16(28-20)12-13-23-21(25)22(3,4)5/h6-11,15,18H,12-14H2,1-5H3,(H,23,25).

What are the key properties of 2,2-dimethyl-N-[2-[5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]propanamide?

2,2-dimethyl-N-[2-[5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]propanamide has a molecular weight of 434.63 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-N-[2-[5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]propanamide is sourced from PubChem (CID 139012998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).