N-cyclopentyl-2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride

C18H27ClN4O3S — CID 120866549

IUPACN-cyclopentyl-2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
SMILESCNC(C)Cc1noc(-c2ccc(C)c(S(=O)(=O)NC3CCCC3)c2)n1.Cl
InChIInChI=1S/C18H26N4O3S.ClH/c1-12-8-9-14(18-20-17(21-25-18)10-13(2)19-3)11-16(12)26(23,24)22-15-6-4-5-7-15;/h8-9,11,13,15,19,22H,4-7,10H2,1-3H3;1H
InChIKeyWJWBTRGTIAZDGM-UHFFFAOYSA-N
MW414.96 g/mol
LogP2.84
Rot. Bonds7

About N-cyclopentyl-2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride

N-cyclopentyl-2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride (PubChem CID 120866549) has the molecular formula C18H27ClN4O3S and a molecular weight of 414.96 g/mol. Its IUPAC name is N-cyclopentyl-2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopentyl-2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
PubChem CID120866549
Molecular FormulaC18H27ClN4O3S
Molecular Weight414.96 g/mol
Exact Mass414.15
IUPAC NameN-cyclopentyl-2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
SMILESCNC(C)Cc1noc(-c2ccc(C)c(S(=O)(=O)NC3CCCC3)c2)n1.Cl
InChIInChI=1S/C18H26N4O3S.ClH/c1-12-8-9-14(18-20-17(21-25-18)10-13(2)19-3)11-16(12)26(23,24)22-15-6-4-5-7-15;/h8-9,11,13,15,19,22H,4-7,10H2,1-3H3;1H
InChIKeyWJWBTRGTIAZDGM-UHFFFAOYSA-N
XLogP2.84
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.96
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-2-methoxy-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 120869072
N-methyl-1-[5-(4-methyl-3-methylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120866360
N-cycloheptyl-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide
CID 120865234
N-[2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 120864944
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120868063
2-methoxy-N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
CID 120867400
N-cyclooctyl-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide
CID 46365758
N-methyl-1-[5-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120867502
N-ethyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 120867248
N-methyl-1-[5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120865715
1-[5-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866337
5-bromo-N-cyclohexyl-2-methylbenzenesulfonamide
CID 47113443

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride?
The IUPAC name of N-cyclopentyl-2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride (CID 120866549) is N-cyclopentyl-2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-cyclopentyl-2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride?
The canonical SMILES for N-cyclopentyl-2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride is CNC(C)Cc1noc(-c2ccc(C)c(S(=O)(=O)NC3CCCC3)c2)n1.Cl.
What is the InChIKey of N-cyclopentyl-2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride?
The InChIKey is WJWBTRGTIAZDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S.ClH/c1-12-8-9-14(18-20-17(21-25-18)10-13(2)19-3)11-16(12)26(23,24)22-15-6-4-5-7-15;/h8-9,11,13,15,19,22H,4-7,10H2,1-3H3;1H.
What are the key properties of N-cyclopentyl-2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride?
N-cyclopentyl-2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride has a molecular weight of 414.96 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120866549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).