[(2R)-1-oxo-1-(propylamino)propan-2-yl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate

C16H21ClN2O5S — CID 9062209

IUPAC[(2R)-1-oxo-1-(propylamino)propan-2-yl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate
SMILESCCCNC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C16H21ClN2O5S/c1-3-8-18-15(20)10(2)24-16(21)11-4-7-13(17)14(9-11)25(22,23)19-12-5-6-12/h4,7,9-10,12,19H,3,5-6,8H2,1-2H3,(H,18,20)/t10-/m1/s1
InChIKeyJTUNQNFJEKPWJZ-SNVBAGLBSA-N
MW388.87 g/mol
LogP1.85
Rot. Bonds8

About [(2R)-1-oxo-1-(propylamino)propan-2-yl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate

[(2R)-1-oxo-1-(propylamino)propan-2-yl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate (PubChem CID 9062209) has the molecular formula C16H21ClN2O5S and a molecular weight of 388.87 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(propylamino)propan-2-yl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(propylamino)propan-2-yl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate
PubChem CID9062209
Molecular FormulaC16H21ClN2O5S
Molecular Weight388.87 g/mol
Exact Mass388.09
IUPAC Name[(2R)-1-oxo-1-(propylamino)propan-2-yl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate
SMILESCCCNC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C16H21ClN2O5S/c1-3-8-18-15(20)10(2)24-16(21)11-4-7-13(17)14(9-11)25(22,23)19-12-5-6-12/h4,7,9-10,12,19H,3,5-6,8H2,1-2H3,(H,18,20)/t10-/m1/s1
InChIKeyJTUNQNFJEKPWJZ-SNVBAGLBSA-N
XLogP1.85
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-oxo-1-(propylamino)propan-2-yl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate with MolForge

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Related Compounds

[(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 8884838
methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 32917957
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]benzoate
CID 40956085
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7991178
methyl 4-chloro-3-(cyclopentylsulfamoyl)benzoate
CID 35294285
[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 27539092
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 8672231
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 42922299
[1-(2-methylpropylamino)-1-oxopropan-2-yl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 46620382
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8722333
(2-chlorophenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 8672183
[(2R)-1-amino-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 8700551

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(propylamino)propan-2-yl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate?
The IUPAC name of [(2R)-1-oxo-1-(propylamino)propan-2-yl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate (CID 9062209) is [(2R)-1-oxo-1-(propylamino)propan-2-yl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate.
What is the SMILES notation for [(2R)-1-oxo-1-(propylamino)propan-2-yl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate?
The canonical SMILES for [(2R)-1-oxo-1-(propylamino)propan-2-yl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate is CCCNC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of [(2R)-1-oxo-1-(propylamino)propan-2-yl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate?
The InChIKey is JTUNQNFJEKPWJZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H21ClN2O5S/c1-3-8-18-15(20)10(2)24-16(21)11-4-7-13(17)14(9-11)25(22,23)19-12-5-6-12/h4,7,9-10,12,19H,3,5-6,8H2,1-2H3,(H,18,20)/t10-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(propylamino)propan-2-yl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate?
[(2R)-1-oxo-1-(propylamino)propan-2-yl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate has a molecular weight of 388.87 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(propylamino)propan-2-yl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate is sourced from PubChem (CID 9062209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).