3-[1-[2-(cyclopentylamino)ethylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide

C25H32N4O3S2 — CID 11627460

About 3-[1-[2-(cyclopentylamino)ethylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide

3-[1-[2-(cyclopentylamino)ethylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide (PubChem CID 11627460) has the molecular formula C25H32N4O3S2 and a molecular weight of 500.69 g/mol. Its IUPAC name is 3-[1-[2-(cyclopentylamino)ethylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide.

Molecular Properties

• Compound Name: 3-[1-[2-(cyclopentylamino)ethylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide
• PubChem CID: 11627460
• Molecular Formula: C25H32N4O3S2
• Molecular Weight: 500.69 g/mol
• Exact Mass: 500.19
• IUPAC Name: 3-[1-[2-(cyclopentylamino)ethylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide
• SMILES: NC(=O)c1cc(-c2ccsc2)cc2c(C3CCN(S(=O)(=O)CCNC4CCCC4)CC3)c[nH]c12
• InChI: InChI=1S/C25H32N4O3S2/c26-25(30)22-14-19(18-7-11-33-16-18)13-21-23(15-28-24(21)22)17-5-9-29(10-6-17)34(31,32)12-8-27-20-3-1-2-4-20/h7,11,13-17,20,27-28H,1-6,8-10,12H2,(H2,26,30)
• InChIKey: WGJGKCAGQVPEGN-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 108.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.69
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(cyclopentylamino)ethylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide?

The IUPAC name of 3-[1-[2-(cyclopentylamino)ethylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide (CID 11627460) is 3-[1-[2-(cyclopentylamino)ethylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide.

What is the SMILES notation for 3-[1-[2-(cyclopentylamino)ethylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide?

The canonical SMILES for 3-[1-[2-(cyclopentylamino)ethylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide is NC(=O)c1cc(-c2ccsc2)cc2c(C3CCN(S(=O)(=O)CCNC4CCCC4)CC3)c[nH]c12.

What is the InChIKey of 3-[1-[2-(cyclopentylamino)ethylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide?

The InChIKey is WGJGKCAGQVPEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3S2/c26-25(30)22-14-19(18-7-11-33-16-18)13-21-23(15-28-24(21)22)17-5-9-29(10-6-17)34(31,32)12-8-27-20-3-1-2-4-20/h7,11,13-17,20,27-28H,1-6,8-10,12H2,(H2,26,30).

What are the key properties of 3-[1-[2-(cyclopentylamino)ethylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide?

3-[1-[2-(cyclopentylamino)ethylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide has a molecular weight of 500.69 g/mol, XLogP of 4.04, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[2-(cyclopentylamino)ethylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide is sourced from PubChem (CID 11627460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).