N-[2-[4-[4-(2-aminocyclopentyl)phenyl]phenyl]cyclopentyl]propane-2-sulfonamide

C25H34N2O2S — CID 69112377

IUPACN-[2-[4-[4-(2-aminocyclopentyl)phenyl]phenyl]cyclopentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCCC1c1ccc(-c2ccc(C3CCCC3N)cc2)cc1
InChIInChI=1S/C25H34N2O2S/c1-17(2)30(28,29)27-25-8-4-6-23(25)21-15-11-19(12-16-21)18-9-13-20(14-10-18)22-5-3-7-24(22)26/h9-17,22-25,27H,3-8,26H2,1-2H3
InChIKeyOFVYMGGIIYNXDW-UHFFFAOYSA-N
MW426.63 g/mol
LogP4.91
Rot. Bonds6

About N-[2-[4-[4-(2-aminocyclopentyl)phenyl]phenyl]cyclopentyl]propane-2-sulfonamide

N-[2-[4-[4-(2-aminocyclopentyl)phenyl]phenyl]cyclopentyl]propane-2-sulfonamide (PubChem CID 69112377) has the molecular formula C25H34N2O2S and a molecular weight of 426.63 g/mol. Its IUPAC name is N-[2-[4-[4-(2-aminocyclopentyl)phenyl]phenyl]cyclopentyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-[4-(2-aminocyclopentyl)phenyl]phenyl]cyclopentyl]propane-2-sulfonamide
PubChem CID69112377
Molecular FormulaC25H34N2O2S
Molecular Weight426.63 g/mol
Exact Mass426.23
IUPAC NameN-[2-[4-[4-(2-aminocyclopentyl)phenyl]phenyl]cyclopentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCCC1c1ccc(-c2ccc(C3CCCC3N)cc2)cc1
InChIInChI=1S/C25H34N2O2S/c1-17(2)30(28,29)27-25-8-4-6-23(25)21-15-11-19(12-16-21)18-9-13-20(14-10-18)22-5-3-7-24(22)26/h9-17,22-25,27H,3-8,26H2,1-2H3
InChIKeyOFVYMGGIIYNXDW-UHFFFAOYSA-N
XLogP4.91
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.63
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-(2-aminocyclopentyl)phenyl]phenyl]cyclopentyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[4-[4-(2-aminocyclopentyl)phenyl]phenyl]cyclopentyl]propane-2-sulfonamide (CID 69112377) is N-[2-[4-[4-(2-aminocyclopentyl)phenyl]phenyl]cyclopentyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[4-[4-(2-aminocyclopentyl)phenyl]phenyl]cyclopentyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[4-[4-(2-aminocyclopentyl)phenyl]phenyl]cyclopentyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCCC1c1ccc(-c2ccc(C3CCCC3N)cc2)cc1.
What is the InChIKey of N-[2-[4-[4-(2-aminocyclopentyl)phenyl]phenyl]cyclopentyl]propane-2-sulfonamide?
The InChIKey is OFVYMGGIIYNXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2S/c1-17(2)30(28,29)27-25-8-4-6-23(25)21-15-11-19(12-16-21)18-9-13-20(14-10-18)22-5-3-7-24(22)26/h9-17,22-25,27H,3-8,26H2,1-2H3.
What are the key properties of N-[2-[4-[4-(2-aminocyclopentyl)phenyl]phenyl]cyclopentyl]propane-2-sulfonamide?
N-[2-[4-[4-(2-aminocyclopentyl)phenyl]phenyl]cyclopentyl]propane-2-sulfonamide has a molecular weight of 426.63 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[4-(2-aminocyclopentyl)phenyl]phenyl]cyclopentyl]propane-2-sulfonamide is sourced from PubChem (CID 69112377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).