[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[4-(methylsulfamoyl)phenyl]propanoate

C16H23N3O6S — CID 55366984

IUPAC[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[4-(methylsulfamoyl)phenyl]propanoate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)CCc1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C16H23N3O6S/c1-4-18-16(22)19-15(21)11(2)25-14(20)10-7-12-5-8-13(9-6-12)26(23,24)17-3/h5-6,8-9,11,17H,4,7,10H2,1-3H3,(H2,18,19,21,22)
InChIKeyHCQHLFIZFDTXDU-UHFFFAOYSA-N
MW385.44 g/mol
LogP0.30
Rot. Bonds8

About [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[4-(methylsulfamoyl)phenyl]propanoate

[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[4-(methylsulfamoyl)phenyl]propanoate (PubChem CID 55366984) has the molecular formula C16H23N3O6S and a molecular weight of 385.44 g/mol. Its IUPAC name is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[4-(methylsulfamoyl)phenyl]propanoate.

Molecular Properties

Compound Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[4-(methylsulfamoyl)phenyl]propanoate
PubChem CID55366984
Molecular FormulaC16H23N3O6S
Molecular Weight385.44 g/mol
Exact Mass385.13
IUPAC Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[4-(methylsulfamoyl)phenyl]propanoate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)CCc1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C16H23N3O6S/c1-4-18-16(22)19-15(21)11(2)25-14(20)10-7-12-5-8-13(9-6-12)26(23,24)17-3/h5-6,8-9,11,17H,4,7,10H2,1-3H3,(H2,18,19,21,22)
InChIKeyHCQHLFIZFDTXDU-UHFFFAOYSA-N
XLogP0.30
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[4-(methylsulfamoyl)phenyl]propanoate with MolForge

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Related Compounds

[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 42970883
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-tert-butylphenyl)propanoate
CID 8506828
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate
CID 16514633
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 3-[4-(methylsulfamoyl)phenyl]propanoate
CID 55475903
N-ethyl-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 5211556
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenoxy)propanoate
CID 46789085
[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2521344
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-(4-aminophenyl)-4-oxobutanoate
CID 95788326
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 16522026
[2-(dimethylamino)-2-oxo-1-phenylethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate
CID 46825923
[(E)-but-2-enyl] 3-[4-(methylsulfamoyl)phenyl]propanoate
CID 55475988
[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
CID 8730811

Frequently Asked Questions

What is the IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[4-(methylsulfamoyl)phenyl]propanoate?
The IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[4-(methylsulfamoyl)phenyl]propanoate (CID 55366984) is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[4-(methylsulfamoyl)phenyl]propanoate.
What is the SMILES notation for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[4-(methylsulfamoyl)phenyl]propanoate?
The canonical SMILES for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[4-(methylsulfamoyl)phenyl]propanoate is CCNC(=O)NC(=O)C(C)OC(=O)CCc1ccc(S(=O)(=O)NC)cc1.
What is the InChIKey of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[4-(methylsulfamoyl)phenyl]propanoate?
The InChIKey is HCQHLFIZFDTXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O6S/c1-4-18-16(22)19-15(21)11(2)25-14(20)10-7-12-5-8-13(9-6-12)26(23,24)17-3/h5-6,8-9,11,17H,4,7,10H2,1-3H3,(H2,18,19,21,22).
What are the key properties of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[4-(methylsulfamoyl)phenyl]propanoate?
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[4-(methylsulfamoyl)phenyl]propanoate has a molecular weight of 385.44 g/mol, XLogP of 0.30, 8 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] 3-[4-(methylsulfamoyl)phenyl]propanoate is sourced from PubChem (CID 55366984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).