N-cyclopentyl-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide

C20H21N3O4S — CID 53098172

IUPACN-cyclopentyl-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(-c2nnc(-c3ccccc3)o2)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C20H21N3O4S/c1-26-17-12-11-15(13-18(17)28(24,25)23-16-9-5-6-10-16)20-22-21-19(27-20)14-7-3-2-4-8-14/h2-4,7-8,11-13,16,23H,5-6,9-10H2,1H3
InChIKeyCJZMUOATAGTDIC-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.63
Rot. Bonds6

About N-cyclopentyl-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide

N-cyclopentyl-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (PubChem CID 53098172) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-cyclopentyl-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
PubChem CID53098172
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-cyclopentyl-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(-c2nnc(-c3ccccc3)o2)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C20H21N3O4S/c1-26-17-12-11-15(13-18(17)28(24,25)23-16-9-5-6-10-16)20-22-21-19(27-20)14-7-3-2-4-8-14/h2-4,7-8,11-13,16,23H,5-6,9-10H2,1H3
InChIKeyCJZMUOATAGTDIC-UHFFFAOYSA-N
XLogP3.63
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-(4-methoxyphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 53098161
N-cyclopentyl-5-[2-(methanesulfonamido)phenyl]-2-methoxybenzenesulfonamide
CID 122191039
N-(4-hydroxyphenyl)-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 53098163
N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide
CID 53054200
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate
CID 55475264
N-cyclopentyl-2-methoxy-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 120869072
N-cyclopentyl-2-methoxy-5-(2-methylthiophen-3-yl)benzenesulfonamide
CID 122191055
N-cyclopentyl-4-methoxynaphthalene-1-sulfonamide
CID 7314514
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide
CID 28717716
2-(3,4-dimethoxyphenyl)-5-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole
CID 53098024
5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 110757527

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-cyclopentyl-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (CID 53098172) is N-cyclopentyl-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is COc1ccc(-c2nnc(-c3ccccc3)o2)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The InChIKey is CJZMUOATAGTDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-26-17-12-11-15(13-18(17)28(24,25)23-16-9-5-6-10-16)20-22-21-19(27-20)14-7-3-2-4-8-14/h2-4,7-8,11-13,16,23H,5-6,9-10H2,1H3.
What are the key properties of N-cyclopentyl-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
N-cyclopentyl-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide has a molecular weight of 399.47 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 53098172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).