N-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

C23H29N3O5S — CID 20936133

About N-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

N-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 20936133) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is N-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: N-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
• PubChem CID: 20936133
• Molecular Formula: C23H29N3O5S
• Molecular Weight: 459.57 g/mol
• Exact Mass: 459.18
• IUPAC Name: N-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
• SMILES: COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCCN(Cc1ccco1)C1CCCC1
• InChI: InChI=1S/C23H29N3O5S/c1-17-14-22(31-25-17)18-9-10-21(29-2)23(15-18)32(27,28)24-11-12-26(19-6-3-4-7-19)16-20-8-5-13-30-20/h5,8-10,13-15,19,24H,3-4,6-7,11-12,16H2,1-2H3
• InChIKey: NSJDFOCVBPRUEB-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 97.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.57
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?

The IUPAC name of N-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (CID 20936133) is N-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.

What is the SMILES notation for N-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?

The canonical SMILES for N-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCCN(Cc1ccco1)C1CCCC1.

What is the InChIKey of N-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?

The InChIKey is NSJDFOCVBPRUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-17-14-22(31-25-17)18-9-10-21(29-2)23(15-18)32(27,28)24-11-12-26(19-6-3-4-7-19)16-20-8-5-13-30-20/h5,8-10,13-15,19,24H,3-4,6-7,11-12,16H2,1-2H3.

What are the key properties of N-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?

N-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 459.57 g/mol, XLogP of 3.97, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[cyclopentyl(furan-2-ylmethyl)amino]ethyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 20936133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).