N-cyclopentyl-2-methoxy-5-(2-methylthiophen-3-yl)benzenesulfonamide

C17H21NO3S2 — CID 122191055

IUPACN-cyclopentyl-2-methoxy-5-(2-methylthiophen-3-yl)benzenesulfonamide
SMILESCOc1ccc(-c2ccsc2C)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C17H21NO3S2/c1-12-15(9-10-22-12)13-7-8-16(21-2)17(11-13)23(19,20)18-14-5-3-4-6-14/h7-11,14,18H,3-6H2,1-2H3
InChIKeyZIZVVSYRJGRSNL-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.95
Rot. Bonds5

About N-cyclopentyl-2-methoxy-5-(2-methylthiophen-3-yl)benzenesulfonamide

N-cyclopentyl-2-methoxy-5-(2-methylthiophen-3-yl)benzenesulfonamide (PubChem CID 122191055) has the molecular formula C17H21NO3S2 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-cyclopentyl-2-methoxy-5-(2-methylthiophen-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-2-methoxy-5-(2-methylthiophen-3-yl)benzenesulfonamide
PubChem CID122191055
Molecular FormulaC17H21NO3S2
Molecular Weight351.49 g/mol
Exact Mass351.10
IUPAC NameN-cyclopentyl-2-methoxy-5-(2-methylthiophen-3-yl)benzenesulfonamide
SMILESCOc1ccc(-c2ccsc2C)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C17H21NO3S2/c1-12-15(9-10-22-12)13-7-8-16(21-2)17(11-13)23(19,20)18-14-5-3-4-6-14/h7-11,14,18H,3-6H2,1-2H3
InChIKeyZIZVVSYRJGRSNL-UHFFFAOYSA-N
XLogP3.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-5-[2-(methanesulfonamido)phenyl]-2-methoxybenzenesulfonamide
CID 122191039
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
5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide
CID 28717716
N-cyclohexyl-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 2234313
N-cyclopentyl-2-methoxy-4-methylbenzenesulfonamide
CID 172906018
N-cyclohexyl-2,5-dimethoxy-4-methylbenzenesulfonamide
CID 6464098
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 110757527
N-cyclopentyl-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53117946
N-cycloheptyl-2,4-dimethoxy-3-methylbenzenesulfonamide
CID 110758716
N-cyclohexyl-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 47314932

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methoxy-5-(2-methylthiophen-3-yl)benzenesulfonamide?
The IUPAC name of N-cyclopentyl-2-methoxy-5-(2-methylthiophen-3-yl)benzenesulfonamide (CID 122191055) is N-cyclopentyl-2-methoxy-5-(2-methylthiophen-3-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-2-methoxy-5-(2-methylthiophen-3-yl)benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-2-methoxy-5-(2-methylthiophen-3-yl)benzenesulfonamide is COc1ccc(-c2ccsc2C)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-methoxy-5-(2-methylthiophen-3-yl)benzenesulfonamide?
The InChIKey is ZIZVVSYRJGRSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S2/c1-12-15(9-10-22-12)13-7-8-16(21-2)17(11-13)23(19,20)18-14-5-3-4-6-14/h7-11,14,18H,3-6H2,1-2H3.
What are the key properties of N-cyclopentyl-2-methoxy-5-(2-methylthiophen-3-yl)benzenesulfonamide?
N-cyclopentyl-2-methoxy-5-(2-methylthiophen-3-yl)benzenesulfonamide has a molecular weight of 351.49 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methoxy-5-(2-methylthiophen-3-yl)benzenesulfonamide is sourced from PubChem (CID 122191055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).