[(2R)-1-anilino-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate

C18H20N2O5S — CID 7828103

IUPAC[(2R)-1-anilino-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate
SMILESCCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H20N2O5S/c1-3-19-26(23,24)16-11-9-14(10-12-16)18(22)25-13(2)17(21)20-15-7-5-4-6-8-15/h4-13,19H,3H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyVMBXJZXTKFWCIP-CYBMUJFWSA-N
MW376.43 g/mol
LogP2.17
Rot. Bonds7

About [(2R)-1-anilino-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate

[(2R)-1-anilino-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate (PubChem CID 7828103) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is [(2R)-1-anilino-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[(2R)-1-anilino-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate
PubChem CID7828103
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name[(2R)-1-anilino-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate
SMILESCCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H20N2O5S/c1-3-19-26(23,24)16-11-9-14(10-12-16)18(22)25-13(2)17(21)20-15-7-5-4-6-8-15/h4-13,19H,3H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyVMBXJZXTKFWCIP-CYBMUJFWSA-N
XLogP2.17
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-anilino-1-oxopropan-2-yl] 4-(prop-2-enylsulfamoyl)benzoate
CID 7828390
(1-anilino-1-oxopropan-2-yl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 4791564
[1-(4-acetylanilino)-1-oxopropan-2-yl] 3-(ethylsulfamoyl)benzoate
CID 42900493
4-O-[(2S)-1-anilino-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296552
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate
CID 7429425
[(2S)-1-anilino-1-oxopropan-2-yl] 4-methylbenzoate
CID 2506398
4-(ethylsulfamoyl)-N-phenylbenzamide
CID 1262046
[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate
CID 46793533
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate
CID 7429419
[(2R)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate
CID 8954713
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2098581
[(2S)-1-anilino-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate
CID 2557001

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-anilino-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate?
The IUPAC name of [(2R)-1-anilino-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate (CID 7828103) is [(2R)-1-anilino-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate.
What is the SMILES notation for [(2R)-1-anilino-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate?
The canonical SMILES for [(2R)-1-anilino-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate is CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2)cc1.
What is the InChIKey of [(2R)-1-anilino-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate?
The InChIKey is VMBXJZXTKFWCIP-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-3-19-26(23,24)16-11-9-14(10-12-16)18(22)25-13(2)17(21)20-15-7-5-4-6-8-15/h4-13,19H,3H2,1-2H3,(H,20,21)/t13-/m1/s1.
What are the key properties of [(2R)-1-anilino-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate?
[(2R)-1-anilino-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate has a molecular weight of 376.43 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-anilino-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate is sourced from PubChem (CID 7828103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).