N-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-propan-2-yloxybenzenesulfonamide

C19H25N3O4S — CID 99819658

IUPACN-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NC2(c3noc(C4CC4)n3)CCCC2)cc1
InChIInChI=1S/C19H25N3O4S/c1-13(2)25-15-7-9-16(10-8-15)27(23,24)22-19(11-3-4-12-19)18-20-17(26-21-18)14-5-6-14/h7-10,13-14,22H,3-6,11-12H2,1-2H3
InChIKeyXSXCJSCELAMZHN-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.48
Rot. Bonds7

About N-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-propan-2-yloxybenzenesulfonamide

N-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 99819658) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID99819658
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NC2(c3noc(C4CC4)n3)CCCC2)cc1
InChIInChI=1S/C19H25N3O4S/c1-13(2)25-15-7-9-16(10-8-15)27(23,24)22-19(11-3-4-12-19)18-20-17(26-21-18)14-5-6-14/h7-10,13-14,22H,3-6,11-12H2,1-2H3
InChIKeyXSXCJSCELAMZHN-UHFFFAOYSA-N
XLogP3.48
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-propan-2-yloxybenzenesulfonamide (CID 99819658) is N-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-propan-2-yloxybenzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)NC2(c3noc(C4CC4)n3)CCCC2)cc1.
What is the InChIKey of N-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is XSXCJSCELAMZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-13(2)25-15-7-9-16(10-8-15)27(23,24)22-19(11-3-4-12-19)18-20-17(26-21-18)14-5-6-14/h7-10,13-14,22H,3-6,11-12H2,1-2H3.
What are the key properties of N-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-propan-2-yloxybenzenesulfonamide?
N-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 391.49 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 99819658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).