N-[4-[3-amino-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide

C25H29N3O5S — CID 70825953

About N-[4-[3-amino-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide

N-[4-[3-amino-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide (PubChem CID 70825953) has the molecular formula C25H29N3O5S and a molecular weight of 483.59 g/mol. Its IUPAC name is N-[4-[3-amino-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide.

Molecular Properties

• Compound Name: N-[4-[3-amino-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide
• PubChem CID: 70825953
• Molecular Formula: C25H29N3O5S
• Molecular Weight: 483.59 g/mol
• Exact Mass: 483.18
• IUPAC Name: N-[4-[3-amino-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide
• SMILES: Nc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2ccc(OC3COCOC3)cc12
• InChI: InChI=1S/C25H29N3O5S/c26-24-22-12-19(33-20-13-31-15-32-14-20)8-11-23(22)28(18-2-1-3-18)25(24)16-4-6-17(7-5-16)27-34(29,30)21-9-10-21/h4-8,11-12,18,20-21,27H,1-3,9-10,13-15,26H2
• InChIKey: KLWSPZPXUAXEMI-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 104.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.59
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-amino-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide?

The IUPAC name of N-[4-[3-amino-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide (CID 70825953) is N-[4-[3-amino-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide.

What is the SMILES notation for N-[4-[3-amino-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide?

The canonical SMILES for N-[4-[3-amino-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide is Nc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2ccc(OC3COCOC3)cc12.

What is the InChIKey of N-[4-[3-amino-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide?

The InChIKey is KLWSPZPXUAXEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5S/c26-24-22-12-19(33-20-13-31-15-32-14-20)8-11-23(22)28(18-2-1-3-18)25(24)16-4-6-17(7-5-16)27-34(29,30)21-9-10-21/h4-8,11-12,18,20-21,27H,1-3,9-10,13-15,26H2.

What are the key properties of N-[4-[3-amino-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide?

N-[4-[3-amino-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide has a molecular weight of 483.59 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-amino-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 70825953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).