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

C17H22N2O3S — CID 53054259

IUPACN-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide
SMILESCc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C17H22N2O3S/c1-11-8-9-14(17-12(2)18-22-13(17)3)10-16(11)23(20,21)19-15-6-4-5-7-15/h8-10,15,19H,4-7H2,1-3H3
InChIKeyYTFPNQZFSVSZGW-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.49
Rot. Bonds4

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

N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide (PubChem CID 53054259) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide
PubChem CID53054259
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide
SMILESCc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C17H22N2O3S/c1-11-8-9-14(17-12(2)18-22-13(17)3)10-16(11)23(20,21)19-15-6-4-5-7-15/h8-10,15,19H,4-7H2,1-3H3
InChIKeyYTFPNQZFSVSZGW-UHFFFAOYSA-N
XLogP3.49
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Valdecoxib
CID 119607
Parecoxib
CID 119828
N-cyclopropyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzene-1-sulfonamide
CID 53054289
4-methyl-N-[(5-methyl-3-phenyl-4-isoxazolyl)methyl]benzenesulfonamide
CID 2738171
2-Fluoro-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 9858791
N-hydroxi-4-(3-phenyl-5-methyl-isoxazole-4-yl)-benzenesulfonamide monohydrate
CID 11198845
4-(3-(4-Fluorophenyl)-5-methylisoxazol-4-yl)benzenesulfonamide
CID 11530051
4-Methyl-1-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonyl]piperidine
CID 16025168
4-(5-Fluoromethyl-3-phenyl-isoxazol-4-yl)-benzenesulfonamide
CID 44404327
4-[5-(2-Fluoro-ethyl)-3-phenyl-isoxazol-4-yl]-benzenesulfonamide
CID 44404395
N-cyclopentyl-5-(3,5-dimethylisoxazol-4-yl)-2-methoxybenzenesulfonamide
CID 53054200
N-({4-[3-(cyclopentylsulfamoyl)-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl}methyl)acetamide
CID 137319656

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide?
The IUPAC name of N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide (CID 53054259) is N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide is Cc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide?
The InChIKey is YTFPNQZFSVSZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-11-8-9-14(17-12(2)18-22-13(17)3)10-16(11)23(20,21)19-15-6-4-5-7-15/h8-10,15,19H,4-7H2,1-3H3.
What are the key properties of N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide?
N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 53054259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).