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

C18H26N4O4S — CID 120869072

IUPACN-cyclopentyl-2-methoxy-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide
SMILESCNC(C)Cc1noc(-c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)n1
InChIInChI=1S/C18H26N4O4S/c1-12(19-2)10-17-20-18(26-21-17)13-8-9-15(25-3)16(11-13)27(23,24)22-14-6-4-5-7-14/h8-9,11-12,14,19,22H,4-7,10H2,1-3H3
InChIKeyHXQSDQWBGOSDTJ-UHFFFAOYSA-N
MW394.50 g/mol
LogP2.12
Rot. Bonds8

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

N-cyclopentyl-2-methoxy-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide (PubChem CID 120869072) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-cyclopentyl-2-methoxy-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-2-methoxy-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide
PubChem CID120869072
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC NameN-cyclopentyl-2-methoxy-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide
SMILESCNC(C)Cc1noc(-c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)n1
InChIInChI=1S/C18H26N4O4S/c1-12(19-2)10-17-20-18(26-21-17)13-8-9-15(25-3)16(11-13)27(23,24)22-14-6-4-5-7-14/h8-9,11-12,14,19,22H,4-7,10H2,1-3H3
InChIKeyHXQSDQWBGOSDTJ-UHFFFAOYSA-N
XLogP2.12
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopentyl-2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
CID 120866549
2-methoxy-N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
CID 120867400
N-cycloheptyl-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide
CID 120865234
N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide
CID 53054200
N-cyclopentyl-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 53098172
N-methyl-1-[5-(4-methyl-3-methylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120866360
N-cyclopentyl-5-[2-(methanesulfonamido)phenyl]-2-methoxybenzenesulfonamide
CID 122191039
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 55536740
1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate
CID 55563446
N-[2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 120864944
N-cyclopentyl-2-methoxy-5-(2-methylthiophen-3-yl)benzenesulfonamide
CID 122191055
5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide
CID 28717716

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methoxy-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The IUPAC name of N-cyclopentyl-2-methoxy-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide (CID 120869072) is N-cyclopentyl-2-methoxy-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-2-methoxy-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-2-methoxy-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide is CNC(C)Cc1noc(-c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)n1.
What is the InChIKey of N-cyclopentyl-2-methoxy-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The InChIKey is HXQSDQWBGOSDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S/c1-12(19-2)10-17-20-18(26-21-17)13-8-9-15(25-3)16(11-13)27(23,24)22-14-6-4-5-7-14/h8-9,11-12,14,19,22H,4-7,10H2,1-3H3.
What are the key properties of N-cyclopentyl-2-methoxy-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
N-cyclopentyl-2-methoxy-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide has a molecular weight of 394.50 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methoxy-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 120869072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).