4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide

C26H29N3O4S — CID 24542498

About 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide

4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 24542498) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

• Compound Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
• PubChem CID: 24542498
• Molecular Formula: C26H29N3O4S
• Molecular Weight: 479.60 g/mol
• Exact Mass: 479.19
• IUPAC Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
• SMILES: O=C(NCC(c1ccco1)N1CCCC1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
• InChI: InChI=1S/C26H29N3O4S/c30-26(27-19-24(25-10-6-18-33-25)28-15-3-4-16-28)21-11-13-22(14-12-21)34(31,32)29-17-5-8-20-7-1-2-9-23(20)29/h1-2,6-7,9-14,18,24H,3-5,8,15-17,19H2,(H,27,30)
• InChIKey: LDHXNDAPCLSQEZ-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 82.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.60
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?

The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide (CID 24542498) is 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide.

What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?

The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide is O=C(NCC(c1ccco1)N1CCCC1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1.

What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?

The InChIKey is LDHXNDAPCLSQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S/c30-26(27-19-24(25-10-6-18-33-25)28-15-3-4-16-28)21-11-13-22(14-12-21)34(31,32)29-17-5-8-20-7-1-2-9-23(20)29/h1-2,6-7,9-14,18,24H,3-5,8,15-17,19H2,(H,27,30).

What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?

4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 479.60 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 24542498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).