N-cyclopentyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide

C20H26N2O5S — CID 53059980

IUPACN-cyclopentyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide
SMILESCOc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)NC1CCCC1
InChIInChI=1S/C20H26N2O5S/c1-13-14(2)22-27-20(13)15-8-9-17(26-3)18(12-15)28(24,25)11-10-19(23)21-16-6-4-5-7-16/h8-9,12,16H,4-7,10-11H2,1-3H3,(H,21,23)
InChIKeyZBOCQHYNRJPHQF-UHFFFAOYSA-N
MW406.50 g/mol
LogP3.19
Rot. Bonds7

About N-cyclopentyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide

N-cyclopentyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide (PubChem CID 53059980) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is N-cyclopentyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide
PubChem CID53059980
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC NameN-cyclopentyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide
SMILESCOc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)NC1CCCC1
InChIInChI=1S/C20H26N2O5S/c1-13-14(2)22-27-20(13)15-8-9-17(26-3)18(12-15)28(24,25)11-10-19(23)21-16-6-4-5-7-16/h8-9,12,16H,4-7,10-11H2,1-3H3,(H,21,23)
InChIKeyZBOCQHYNRJPHQF-UHFFFAOYSA-N
XLogP3.19
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide
CID 53060006
N-(3,5-dimethoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide
CID 53059982
3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(furan-2-ylmethyl)propanamide
CID 53059989
N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide
CID 53059996
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-cyclohexylpropanamide
CID 110407206
N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide
CID 53054200
N-(2-chlorophenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide
CID 53060143
N-(1,3-benzodioxol-5-yl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide
CID 53060116
5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 20936573
N-[2-(diethylamino)ethyl]-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxybenzenesulfonamide
CID 20936548
N-cyclopentyl-2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]acetamide
CID 55596158
N-cyclohexyl-3-[2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylpropanamide
CID 22586588

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide?
The IUPAC name of N-cyclopentyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide (CID 53059980) is N-cyclopentyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide.
What is the SMILES notation for N-cyclopentyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide?
The canonical SMILES for N-cyclopentyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide is COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide?
The InChIKey is ZBOCQHYNRJPHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-13-14(2)22-27-20(13)15-8-9-17(26-3)18(12-15)28(24,25)11-10-19(23)21-16-6-4-5-7-16/h8-9,12,16H,4-7,10-11H2,1-3H3,(H,21,23).
What are the key properties of N-cyclopentyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide?
N-cyclopentyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide has a molecular weight of 406.50 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide is sourced from PubChem (CID 53059980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).