[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-[(4-methylphenyl)sulfamoyl]benzoate

C20H23N3O6S — CID 16522026

IUPAC[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-[(4-methylphenyl)sulfamoyl]benzoate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C20H23N3O6S/c1-4-21-20(26)22-18(24)14(3)29-19(25)15-7-11-17(12-8-15)30(27,28)23-16-9-5-13(2)6-10-16/h5-12,14,23H,4H2,1-3H3,(H2,21,22,24,26)
InChIKeyIWGHDVHLXXRZAG-UHFFFAOYSA-N
MW433.49 g/mol
LogP2.19
Rot. Bonds7

About [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-[(4-methylphenyl)sulfamoyl]benzoate

[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-[(4-methylphenyl)sulfamoyl]benzoate (PubChem CID 16522026) has the molecular formula C20H23N3O6S and a molecular weight of 433.49 g/mol. Its IUPAC name is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-[(4-methylphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-[(4-methylphenyl)sulfamoyl]benzoate
PubChem CID16522026
Molecular FormulaC20H23N3O6S
Molecular Weight433.49 g/mol
Exact Mass433.13
IUPAC Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-[(4-methylphenyl)sulfamoyl]benzoate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C20H23N3O6S/c1-4-21-20(26)22-18(24)14(3)29-19(25)15-7-11-17(12-8-15)30(27,28)23-16-9-5-13(2)6-10-16/h5-12,14,23H,4H2,1-3H3,(H2,21,22,24,26)
InChIKeyIWGHDVHLXXRZAG-UHFFFAOYSA-N
XLogP2.19
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-[(4-methylphenyl)sulfamoyl]benzoate with MolForge

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Related Compounds

[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate
CID 16514633
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate
CID 9068493
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 7247773
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-(diethylsulfamoyl)benzoate
CID 2557534
[1-(4-methylanilino)-1-oxopropan-2-yl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 42977439
[1-(4-nitroanilino)-1-oxopropan-2-yl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 42987268
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 60625551
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 42987263
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate
CID 43001129
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 2511945
[1-(3-fluoroanilino)-1-oxopropan-2-yl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 46619844
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 2372389

Frequently Asked Questions

What is the IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-[(4-methylphenyl)sulfamoyl]benzoate?
The IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-[(4-methylphenyl)sulfamoyl]benzoate (CID 16522026) is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-[(4-methylphenyl)sulfamoyl]benzoate.
What is the SMILES notation for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-[(4-methylphenyl)sulfamoyl]benzoate?
The canonical SMILES for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-[(4-methylphenyl)sulfamoyl]benzoate is CCNC(=O)NC(=O)C(C)OC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-[(4-methylphenyl)sulfamoyl]benzoate?
The InChIKey is IWGHDVHLXXRZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6S/c1-4-21-20(26)22-18(24)14(3)29-19(25)15-7-11-17(12-8-15)30(27,28)23-16-9-5-13(2)6-10-16/h5-12,14,23H,4H2,1-3H3,(H2,21,22,24,26).
What are the key properties of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-[(4-methylphenyl)sulfamoyl]benzoate?
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-[(4-methylphenyl)sulfamoyl]benzoate has a molecular weight of 433.49 g/mol, XLogP of 2.19, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-[(4-methylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 16522026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).