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

C22H23ClN2O5S — CID 53060127

IUPACN-(5-chloro-2-methoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c1cc(-c2onc(C)c2C)ccc1C
InChIInChI=1S/C22H23ClN2O5S/c1-13-5-6-16(22-14(2)15(3)25-30-22)11-20(13)31(27,28)10-9-21(26)24-18-12-17(23)7-8-19(18)29-4/h5-8,11-12H,9-10H2,1-4H3,(H,24,26)
InChIKeyBTMAPWZCVMBOIT-UHFFFAOYSA-N
MW462.96 g/mol
LogP4.73
Rot. Bonds7

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

N-(5-chloro-2-methoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide (PubChem CID 53060127) has the molecular formula C22H23ClN2O5S and a molecular weight of 462.96 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide
PubChem CID53060127
Molecular FormulaC22H23ClN2O5S
Molecular Weight462.96 g/mol
Exact Mass462.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c1cc(-c2onc(C)c2C)ccc1C
InChIInChI=1S/C22H23ClN2O5S/c1-13-5-6-16(22-14(2)15(3)25-30-22)11-20(13)31(27,28)10-9-21(26)24-18-12-17(23)7-8-19(18)29-4/h5-8,11-12H,9-10H2,1-4H3,(H,24,26)
InChIKeyBTMAPWZCVMBOIT-UHFFFAOYSA-N
XLogP4.73
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.96
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide
CID 53060057
N-(5-chloro-2-methoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20935532
3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(2,4,6-trimethylphenyl)propanamide
CID 53060009
N-(2,5-dimethoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
CID 53059815
N-(1,3-benzodioxol-5-yl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide
CID 53060116
N-(5-chloro-2-methoxyphenyl)-3-(2-chlorophenyl)sulfonylpropanamide
CID 8763575
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 54928228
3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide
CID 47824653
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955473

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide (CID 53060127) is N-(5-chloro-2-methoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide is COc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c1cc(-c2onc(C)c2C)ccc1C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide?
The InChIKey is BTMAPWZCVMBOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O5S/c1-13-5-6-16(22-14(2)15(3)25-30-22)11-20(13)31(27,28)10-9-21(26)24-18-12-17(23)7-8-19(18)29-4/h5-8,11-12H,9-10H2,1-4H3,(H,24,26).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide?
N-(5-chloro-2-methoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide has a molecular weight of 462.96 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide is sourced from PubChem (CID 53060127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).