(2R)-5-piperidin-1-ylsulfonyl-1-propanoyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide

C22H27N3O4S2 — CID 92725524

About (2R)-5-piperidin-1-ylsulfonyl-1-propanoyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide

(2R)-5-piperidin-1-ylsulfonyl-1-propanoyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide (PubChem CID 92725524) has the molecular formula C22H27N3O4S2 and a molecular weight of 461.61 g/mol. Its IUPAC name is (2R)-5-piperidin-1-ylsulfonyl-1-propanoyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-5-piperidin-1-ylsulfonyl-1-propanoyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide
• PubChem CID: 92725524
• Molecular Formula: C22H27N3O4S2
• Molecular Weight: 461.61 g/mol
• Exact Mass: 461.14
• IUPAC Name: (2R)-5-piperidin-1-ylsulfonyl-1-propanoyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide
• SMILES: CCC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@@H]1C(=O)NCc1cccs1
• InChI: InChI=1S/C22H27N3O4S2/c1-2-21(26)25-19-9-8-18(31(28,29)24-10-4-3-5-11-24)13-16(19)14-20(25)22(27)23-15-17-7-6-12-30-17/h6-9,12-13,20H,2-5,10-11,14-15H2,1H3,(H,23,27)/t20-/m1/s1
• InChIKey: ULANPHBPMKVEQZ-HXUWFJFHSA-N
• XLogP: 2.91
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.61
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-5-piperidin-1-ylsulfonyl-1-propanoyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide?

The IUPAC name of (2R)-5-piperidin-1-ylsulfonyl-1-propanoyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide (CID 92725524) is (2R)-5-piperidin-1-ylsulfonyl-1-propanoyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide.

What is the SMILES notation for (2R)-5-piperidin-1-ylsulfonyl-1-propanoyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide?

The canonical SMILES for (2R)-5-piperidin-1-ylsulfonyl-1-propanoyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide is CCC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@@H]1C(=O)NCc1cccs1.

What is the InChIKey of (2R)-5-piperidin-1-ylsulfonyl-1-propanoyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide?

The InChIKey is ULANPHBPMKVEQZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27N3O4S2/c1-2-21(26)25-19-9-8-18(31(28,29)24-10-4-3-5-11-24)13-16(19)14-20(25)22(27)23-15-17-7-6-12-30-17/h6-9,12-13,20H,2-5,10-11,14-15H2,1H3,(H,23,27)/t20-/m1/s1.

What are the key properties of (2R)-5-piperidin-1-ylsulfonyl-1-propanoyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide?

(2R)-5-piperidin-1-ylsulfonyl-1-propanoyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide has a molecular weight of 461.61 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-5-piperidin-1-ylsulfonyl-1-propanoyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 92725524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).