[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(dimethylsulfamoyl)benzoate

C20H23N3O6S — CID 55316693

IUPAC[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(dimethylsulfamoyl)benzoate
SMILESCCNC(=O)NC(=O)C(OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1
InChIInChI=1S/C20H23N3O6S/c1-4-21-20(26)22-18(24)17(14-8-6-5-7-9-14)29-19(25)15-10-12-16(13-11-15)30(27,28)23(2)3/h5-13,17H,4H2,1-3H3,(H2,21,22,24,26)
InChIKeyHZIFFDBNMJQWDC-UHFFFAOYSA-N
MW433.49 g/mol
LogP1.68
Rot. Bonds7

About [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(dimethylsulfamoyl)benzoate

[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(dimethylsulfamoyl)benzoate (PubChem CID 55316693) has the molecular formula C20H23N3O6S and a molecular weight of 433.49 g/mol. Its IUPAC name is [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(dimethylsulfamoyl)benzoate
PubChem CID55316693
Molecular FormulaC20H23N3O6S
Molecular Weight433.49 g/mol
Exact Mass433.13
IUPAC Name[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(dimethylsulfamoyl)benzoate
SMILESCCNC(=O)NC(=O)C(OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1
InChIInChI=1S/C20H23N3O6S/c1-4-21-20(26)22-18(24)17(14-8-6-5-7-9-14)29-19(25)15-10-12-16(13-11-15)30(27,28)23(2)3/h5-13,17H,4H2,1-3H3,(H2,21,22,24,26)
InChIKeyHZIFFDBNMJQWDC-UHFFFAOYSA-N
XLogP1.68
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(dimethylsulfamoyl)benzoate with MolForge

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Related Compounds

[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-aminobenzoate
CID 7781331
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-methoxybenzoate
CID 7862107
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3,4-dimethylbenzoate
CID 8708894
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 6-chloropyridine-3-carboxylate
CID 8017831
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 7841845
[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-hydroxy-4-methylbenzoate
CID 55460171
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(methylsulfonylmethyl)benzoate
CID 8836939
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010623
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(trifluoromethyl)benzoate
CID 7838955
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] propanoate
CID 7851438
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-nitrobenzoate
CID 7775203
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-(diethylsulfamoyl)benzoate
CID 2557534

Frequently Asked Questions

What is the IUPAC name of [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(dimethylsulfamoyl)benzoate?
The IUPAC name of [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(dimethylsulfamoyl)benzoate (CID 55316693) is [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(dimethylsulfamoyl)benzoate?
The canonical SMILES for [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(dimethylsulfamoyl)benzoate is CCNC(=O)NC(=O)C(OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1.
What is the InChIKey of [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(dimethylsulfamoyl)benzoate?
The InChIKey is HZIFFDBNMJQWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6S/c1-4-21-20(26)22-18(24)17(14-8-6-5-7-9-14)29-19(25)15-10-12-16(13-11-15)30(27,28)23(2)3/h5-13,17H,4H2,1-3H3,(H2,21,22,24,26).
What are the key properties of [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(dimethylsulfamoyl)benzoate?
[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(dimethylsulfamoyl)benzoate has a molecular weight of 433.49 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 55316693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).