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

C21H23N3O4S — CID 53133348

IUPACN-[3-ethyl-4-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide
SMILESCCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C21H23N3O4S/c1-5-18-20(21(28-23-18)22-15(4)25)16-10-9-14(3)19(12-16)29(26,27)24-17-8-6-7-13(2)11-17/h6-12,24H,5H2,1-4H3,(H,22,25)
InChIKeyMRKKQQMDMCVNOI-UHFFFAOYSA-N
MW413.50 g/mol
LogP4.28
Rot. Bonds6

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

N-[3-ethyl-4-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide (PubChem CID 53133348) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[3-ethyl-4-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-ethyl-4-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide
PubChem CID53133348
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-[3-ethyl-4-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide
SMILESCCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C21H23N3O4S/c1-5-18-20(21(28-23-18)22-15(4)25)16-10-9-14(3)19(12-16)29(26,27)24-17-8-6-7-13(2)11-17/h6-12,24H,5H2,1-4H3,(H,22,25)
InChIKeyMRKKQQMDMCVNOI-UHFFFAOYSA-N
XLogP4.28
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-ethyl-4-[3-[(3-ethylphenyl)sulfamoyl]-4-methylphenyl]-1,2-oxazol-5-yl]acetamide
CID 53133320
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-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
CID 53133267
N-[3-ethyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazol-5-yl]acetamide
CID 53133346
N-[3-ethyl-4-[4-methoxy-3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide
CID 53133245
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
(2R)-2-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 35678664
2-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 42940924
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

Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-4-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide?
The IUPAC name of N-[3-ethyl-4-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide (CID 53133348) is N-[3-ethyl-4-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for N-[3-ethyl-4-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for N-[3-ethyl-4-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide is CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1.
What is the InChIKey of N-[3-ethyl-4-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide?
The InChIKey is MRKKQQMDMCVNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-5-18-20(21(28-23-18)22-15(4)25)16-10-9-14(3)19(12-16)29(26,27)24-17-8-6-7-13(2)11-17/h6-12,24H,5H2,1-4H3,(H,22,25).
What are the key properties of N-[3-ethyl-4-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide?
N-[3-ethyl-4-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide has a molecular weight of 413.50 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-4-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 53133348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).