3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]propanamide

C21H22FN3O4S — CID 25489998

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]propanamide
SMILESCc1ccc(NC(=O)CCc2c(C)noc2C)cc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C21H22FN3O4S/c1-13-8-9-16(23-21(26)11-10-17-14(2)24-29-15(17)3)12-20(13)30(27,28)25-19-7-5-4-6-18(19)22/h4-9,12,25H,10-11H2,1-3H3,(H,23,26)
InChIKeyWEZNZSPBSCCQSR-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.11
Rot. Bonds7

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]propanamide (PubChem CID 25489998) has the molecular formula C21H22FN3O4S and a molecular weight of 431.49 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]propanamide
PubChem CID25489998
Molecular FormulaC21H22FN3O4S
Molecular Weight431.49 g/mol
Exact Mass431.13
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]propanamide
SMILESCc1ccc(NC(=O)CCc2c(C)noc2C)cc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C21H22FN3O4S/c1-13-8-9-16(23-21(26)11-10-17-14(2)24-29-15(17)3)12-20(13)30(27,28)25-19-7-5-4-6-18(19)22/h4-9,12,25H,10-11H2,1-3H3,(H,23,26)
InChIKeyWEZNZSPBSCCQSR-UHFFFAOYSA-N
XLogP4.11
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 8623625
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-4-oxo-4-phenylbutanamide
CID 31474000
N',N'-diethyl-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]pentanediamide
CID 56520478
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2-naphthalen-2-yloxyacetamide
CID 24648345
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 24648300
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 30585777
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 31473967
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]butanamide
CID 24648360
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 4553173
N-[4-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
CID 26950174
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110650465
2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]phenyl]acetic acid
CID 119218412

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]propanamide (CID 25489998) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]propanamide is Cc1ccc(NC(=O)CCc2c(C)noc2C)cc1S(=O)(=O)Nc1ccccc1F.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]propanamide?
The InChIKey is WEZNZSPBSCCQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O4S/c1-13-8-9-16(23-21(26)11-10-17-14(2)24-29-15(17)3)12-20(13)30(27,28)25-19-7-5-4-6-18(19)22/h4-9,12,25H,10-11H2,1-3H3,(H,23,26).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]propanamide has a molecular weight of 431.49 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]propanamide is sourced from PubChem (CID 25489998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).