N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide

C21H22ClN3O4S — CID 53133267

IUPACN-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
SMILESCCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2C)c1
InChIInChI=1S/C21H22ClN3O4S/c1-5-17-20(21(29-24-17)23-14(4)26)15-7-6-12(2)19(11-15)30(27,28)25-18-9-8-16(22)10-13(18)3/h6-11,25H,5H2,1-4H3,(H,23,26)
InChIKeyCHAAYEKORUFVJD-UHFFFAOYSA-N
MW447.94 g/mol
LogP4.93
Rot. Bonds6

About N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide

N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide (PubChem CID 53133267) has the molecular formula C21H22ClN3O4S and a molecular weight of 447.94 g/mol. Its IUPAC name is N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
PubChem CID53133267
Molecular FormulaC21H22ClN3O4S
Molecular Weight447.94 g/mol
Exact Mass447.10
IUPAC NameN-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
SMILESCCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2C)c1
InChIInChI=1S/C21H22ClN3O4S/c1-5-17-20(21(29-24-17)23-14(4)26)15-7-6-12(2)19(11-15)30(27,28)25-18-9-8-16(22)10-13(18)3/h6-11,25H,5H2,1-4H3,(H,23,26)
InChIKeyCHAAYEKORUFVJD-UHFFFAOYSA-N
XLogP4.93
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.94
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 53132969
N-[4-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
CID 53133276
N-[4-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
CID 95092633
N-[3-ethyl-4-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide
CID 53133348
N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 53133079
N-[3-ethyl-4-[3-[(3-ethylphenyl)sulfamoyl]-4-methylphenyl]-1,2-oxazol-5-yl]acetamide
CID 53133320
N-[3-ethyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazol-5-yl]acetamide
CID 53133346
N-[4-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
CID 53133239
N-[4-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
CID 53133219
N-[3-ethyl-4-[4-methoxy-3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide
CID 53133245
N-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 53132971
N-(5-chloro-2-methoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20935532

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide?
The IUPAC name of N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide (CID 53133267) is N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide is CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2C)c1.
What is the InChIKey of N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide?
The InChIKey is CHAAYEKORUFVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4S/c1-5-17-20(21(29-24-17)23-14(4)26)15-7-6-12(2)19(11-15)30(27,28)25-18-9-8-16(22)10-13(18)3/h6-11,25H,5H2,1-4H3,(H,23,26).
What are the key properties of N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide?
N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide has a molecular weight of 447.94 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 53133267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).