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

C20H20ClN3O4S — CID 53132969

IUPACN-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
SMILESCC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2C)c1
InChIInChI=1S/C20H20ClN3O4S/c1-11-5-6-15(19-13(3)23-28-20(19)22-14(4)25)10-18(11)29(26,27)24-17-8-7-16(21)9-12(17)2/h5-10,24H,1-4H3,(H,22,25)
InChIKeyBSOVUNIRQPTUPW-UHFFFAOYSA-N
MW433.92 g/mol
LogP4.68
Rot. Bonds5

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

N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide (PubChem CID 53132969) has the molecular formula C20H20ClN3O4S and a molecular weight of 433.92 g/mol. Its IUPAC name is N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
PubChem CID53132969
Molecular FormulaC20H20ClN3O4S
Molecular Weight433.92 g/mol
Exact Mass433.09
IUPAC NameN-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
SMILESCC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2C)c1
InChIInChI=1S/C20H20ClN3O4S/c1-11-5-6-15(19-13(3)23-28-20(19)22-14(4)25)10-18(11)29(26,27)24-17-8-7-16(21)9-12(17)2/h5-10,24H,1-4H3,(H,22,25)
InChIKeyBSOVUNIRQPTUPW-UHFFFAOYSA-N
XLogP4.68
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.92
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 53133079
N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
CID 53133267
N-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 53132971
N-[3-methyl-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazol-5-yl]acetamide
CID 53133053
N-[4-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
CID 53133276
N-[4-[4-methoxy-3-[(4-methylphenyl)sulfamoyl]phenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 53133157
N-[4-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 53133073
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-(5-chloro-2-methoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20935532
N-[3-ethyl-4-[3-[(3-ethylphenyl)sulfamoyl]-4-methylphenyl]-1,2-oxazol-5-yl]acetamide
CID 53133320
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 20935537

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide?
The IUPAC name of N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide (CID 53132969) is N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide is CC(=O)Nc1onc(C)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-methyl-1,2-oxazol-5-yl]acetamide?
The InChIKey is BSOVUNIRQPTUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4S/c1-11-5-6-15(19-13(3)23-28-20(19)22-14(4)25)10-18(11)29(26,27)24-17-8-7-16(21)9-12(17)2/h5-10,24H,1-4H3,(H,22,25).
What are the key properties of N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide?
N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide has a molecular weight of 433.92 g/mol, XLogP of 4.68, 5 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-methyl-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 53132969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).