[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoate

C24H22FN3O6S — CID 24588058

IUPAC[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoate
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)OC(C)C(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C24H22FN3O6S/c1-15-12-13-18(35(32,33)28-21-11-7-6-10-20(21)25)14-19(15)23(30)34-16(2)22(29)27-24(31)26-17-8-4-3-5-9-17/h3-14,16,28H,1-2H3,(H2,26,27,29,31)
InChIKeyYVUYWBSZTYERHT-UHFFFAOYSA-N
MW499.52 g/mol
LogP3.83
Rot. Bonds7

About [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoate

[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoate (PubChem CID 24588058) has the molecular formula C24H22FN3O6S and a molecular weight of 499.52 g/mol. Its IUPAC name is [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoate.

Molecular Properties

Compound Name[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoate
PubChem CID24588058
Molecular FormulaC24H22FN3O6S
Molecular Weight499.52 g/mol
Exact Mass499.12
IUPAC Name[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoate
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)OC(C)C(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C24H22FN3O6S/c1-15-12-13-18(35(32,33)28-21-11-7-6-10-20(21)25)14-19(15)23(30)34-16(2)22(29)27-24(31)26-17-8-4-3-5-9-17/h3-14,16,28H,1-2H3,(H2,26,27,29,31)
InChIKeyYVUYWBSZTYERHT-UHFFFAOYSA-N
XLogP3.83
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.52
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoate
CID 41409459
[(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoate
CID 25331633
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate
CID 42997618
N-(4-ethylphenyl)-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26697270
N-(2-fluorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 34857283
N-[1-(3-acetamidophenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 46598946
N-[4-(cyclopropylcarbamoylamino)phenyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 55535256
propan-2-yl 2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate
CID 56550971
[(2S)-1-anilino-1-oxopropan-2-yl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate
CID 2573922
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 24538338
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(2-phenylpropyl)benzamide
CID 43003232
[(2S)-1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 2-chloro-5-[(2-fluorophenyl)sulfamoyl]benzoate
CID 98393706

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoate?
The IUPAC name of [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoate (CID 24588058) is [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoate.
What is the SMILES notation for [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoate?
The canonical SMILES for [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoate is Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)OC(C)C(=O)NC(=O)Nc1ccccc1.
What is the InChIKey of [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoate?
The InChIKey is YVUYWBSZTYERHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O6S/c1-15-12-13-18(35(32,33)28-21-11-7-6-10-20(21)25)14-19(15)23(30)34-16(2)22(29)27-24(31)26-17-8-4-3-5-9-17/h3-14,16,28H,1-2H3,(H2,26,27,29,31).
What are the key properties of [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoate?
[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoate has a molecular weight of 499.52 g/mol, XLogP of 3.83, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoate is sourced from PubChem (CID 24588058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).