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

C21H21ClN2O4S — CID 53060143

IUPACN-(2-chlorophenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide
SMILESCc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C21H21ClN2O4S/c1-13-8-9-16(21-14(2)15(3)24-28-21)12-19(13)29(26,27)11-10-20(25)23-18-7-5-4-6-17(18)22/h4-9,12H,10-11H2,1-3H3,(H,23,25)
InChIKeySZLVBHQTLPEXHQ-UHFFFAOYSA-N
MW432.93 g/mol
LogP4.72
Rot. Bonds6

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

N-(2-chlorophenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide (PubChem CID 53060143) has the molecular formula C21H21ClN2O4S and a molecular weight of 432.93 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide
PubChem CID53060143
Molecular FormulaC21H21ClN2O4S
Molecular Weight432.93 g/mol
Exact Mass432.09
IUPAC NameN-(2-chlorophenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide
SMILESCc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C21H21ClN2O4S/c1-13-8-9-16(21-14(2)15(3)24-28-21)12-19(13)29(26,27)11-10-20(25)23-18-7-5-4-6-17(18)22/h4-9,12H,10-11H2,1-3H3,(H,23,25)
InChIKeySZLVBHQTLPEXHQ-UHFFFAOYSA-N
XLogP4.72
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.93
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-N-(2-methylphenyl)propanamide
CID 53060095
N-(5-chloro-2-methoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide
CID 53060127
N-(2,4-dimethoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide
CID 53060057
N-(1,3-benzodioxol-5-yl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide
CID 53060116
3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl-1-piperidin-1-ylpropan-1-one
CID 53060145
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-(2,4,6-trimethylphenyl)propanamide
CID 53060009
3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 53059766
5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonyl chloride
CID 53212007
N-cyclopropyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide
CID 53060006
N-(3,5-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
CID 53059823
N-(3-chloro-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20935502

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide?
The IUPAC name of N-(2-chlorophenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide (CID 53060143) is N-(2-chlorophenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide is Cc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide?
The InChIKey is SZLVBHQTLPEXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O4S/c1-13-8-9-16(21-14(2)15(3)24-28-21)12-19(13)29(26,27)11-10-20(25)23-18-7-5-4-6-17(18)22/h4-9,12H,10-11H2,1-3H3,(H,23,25).
What are the key properties of N-(2-chlorophenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide?
N-(2-chlorophenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide has a molecular weight of 432.93 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide is sourced from PubChem (CID 53060143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).