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

C20H20ClN3O5S — CID 53133079

IUPACN-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
SMILESCOc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C20H20ClN3O5S/c1-11-9-15(21)6-7-16(11)24-30(26,27)18-10-14(5-8-17(18)28-4)19-12(2)23-29-20(19)22-13(3)25/h5-10,24H,1-4H3,(H,22,25)
InChIKeyXVOUTICJOKTNAG-UHFFFAOYSA-N
MW449.92 g/mol
LogP4.38
Rot. Bonds6

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

N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide (PubChem CID 53133079) has the molecular formula C20H20ClN3O5S and a molecular weight of 449.92 g/mol. Its IUPAC name is N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
PubChem CID53133079
Molecular FormulaC20H20ClN3O5S
Molecular Weight449.92 g/mol
Exact Mass449.08
IUPAC NameN-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
SMILESCOc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C20H20ClN3O5S/c1-11-9-15(21)6-7-16(11)24-30(26,27)18-10-14(5-8-17(18)28-4)19-12(2)23-29-20(19)22-13(3)25/h5-10,24H,1-4H3,(H,22,25)
InChIKeyXVOUTICJOKTNAG-UHFFFAOYSA-N
XLogP4.38
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.92
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-[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-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
CID 53133267
N-[4-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
CID 53133239
5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 39845488
N-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26952518
N-[4-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
CID 53133219
N-(5-chloro-2-methoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20935532
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-ethoxyphenyl)-2-methoxybenzenesulfonamide
CID 53054230
N-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 53132971
N-(4-fluoro-2-methylphenyl)-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20935107

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide?
The IUPAC name of N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide (CID 53133079) is N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide is COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide?
The InChIKey is XVOUTICJOKTNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O5S/c1-11-9-15(21)6-7-16(11)24-30(26,27)18-10-14(5-8-17(18)28-4)19-12(2)23-29-20(19)22-13(3)25/h5-10,24H,1-4H3,(H,22,25).
What are the key properties of N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide?
N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide has a molecular weight of 449.92 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 53133079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).