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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Related Compounds

N-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-methylbenzenesulfonamide
CID 99818745
N-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide
CID 110446596
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide
CID 113091355
N-[(3R)-3-(4-fluorophenyl)pyrrolidin-3-yl]-4-propan-2-yloxybenzenesulfonamide
CID 169225033
5-fluoro-N-[1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]cycloheptyl]-1-benzofuran-2-sulfonamide
CID 154877587
1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopentan-1-amine
CID 71934601
N-(1-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide
CID 110736348
4-[3-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid
CID 120549929
N-[5-(cyclopentylamino)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
CID 113024552
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110292678
N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112990448
N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110736321

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).