N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide

C17H22N2O4S — CID 53054200

IUPACN-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C17H22N2O4S/c1-11-17(12(2)23-18-11)13-8-9-15(22-3)16(10-13)24(20,21)19-14-6-4-5-7-14/h8-10,14,19H,4-7H2,1-3H3
InChIKeyUVCXALYNQLGUTJ-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.19
Rot. Bonds5

About N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide

N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide (PubChem CID 53054200) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide
PubChem CID53054200
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC NameN-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C17H22N2O4S/c1-11-17(12(2)23-18-11)13-8-9-15(22-3)16(10-13)24(20,21)19-14-6-4-5-7-14/h8-10,14,19H,4-7H2,1-3H3
InChIKeyUVCXALYNQLGUTJ-UHFFFAOYSA-N
XLogP3.19
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide (CID 53054200) is N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide is COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide?
The InChIKey is UVCXALYNQLGUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-11-17(12(2)23-18-11)13-8-9-15(22-3)16(10-13)24(20,21)19-14-6-4-5-7-14/h8-10,14,19H,4-7H2,1-3H3.
What are the key properties of N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide?
N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide has a molecular weight of 350.44 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 53054200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).