[(2S)-1-methoxy-1-oxo-4-(phenylsulfamoyl)butan-2-yl]carbamic acid

C12H16N2O6S — CID 68792270

IUPAC[(2S)-1-methoxy-1-oxo-4-(phenylsulfamoyl)butan-2-yl]carbamic acid
SMILESCOC(=O)[C@H](CCS(=O)(=O)Nc1ccccc1)NC(=O)O
InChIInChI=1S/C12H16N2O6S/c1-20-11(15)10(13-12(16)17)7-8-21(18,19)14-9-5-3-2-4-6-9/h2-6,10,13-14H,7-8H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyUJJAWLGOQVFRHC-JTQLQIEISA-N
MW316.34 g/mol
LogP0.63
Rot. Bonds7

About [(2S)-1-methoxy-1-oxo-4-(phenylsulfamoyl)butan-2-yl]carbamic acid

[(2S)-1-methoxy-1-oxo-4-(phenylsulfamoyl)butan-2-yl]carbamic acid (PubChem CID 68792270) has the molecular formula C12H16N2O6S and a molecular weight of 316.34 g/mol. Its IUPAC name is [(2S)-1-methoxy-1-oxo-4-(phenylsulfamoyl)butan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-methoxy-1-oxo-4-(phenylsulfamoyl)butan-2-yl]carbamic acid
PubChem CID68792270
Molecular FormulaC12H16N2O6S
Molecular Weight316.34 g/mol
Exact Mass316.07
IUPAC Name[(2S)-1-methoxy-1-oxo-4-(phenylsulfamoyl)butan-2-yl]carbamic acid
SMILESCOC(=O)[C@H](CCS(=O)(=O)Nc1ccccc1)NC(=O)O
InChIInChI=1S/C12H16N2O6S/c1-20-11(15)10(13-12(16)17)7-8-21(18,19)14-9-5-3-2-4-6-9/h2-6,10,13-14H,7-8H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyUJJAWLGOQVFRHC-JTQLQIEISA-N
XLogP0.63
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 67782321
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1-O-ethyl 4-O-[2-(phenylsulfamoyl)ethyl] benzene-1,4-dicarboxylate
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[(2S)-4-bromo-1-methoxy-1-oxobutan-2-yl]carbamic acid
CID 87565954
methyl (2R)-2-[[3-(ethylsulfonylamino)benzoyl]amino]-3-phenylpropanoate
CID 25342310
methyl (2R)-2-anilinobutanoate
CID 51891380
(3S)-4-methoxy-3-(2-methylanilino)-4-oxobutane-1-sulfonic acid
CID 87372458
methyl 2-anilinooctanoate
CID 54889679
2-ethyl-N-[2-(phenylsulfamoyl)ethyl]butanamide
CID 110408207
ethyl 4-[6-(phenylsulfamoyl)hexylamino]benzoate
CID 21163325
methyl (2S)-2-[(4-aminonaphthalene-1-carbonyl)amino]-4-methylsulfonylbutanoate
CID 59948443

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-methoxy-1-oxo-4-(phenylsulfamoyl)butan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-methoxy-1-oxo-4-(phenylsulfamoyl)butan-2-yl]carbamic acid (CID 68792270) is [(2S)-1-methoxy-1-oxo-4-(phenylsulfamoyl)butan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-methoxy-1-oxo-4-(phenylsulfamoyl)butan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-methoxy-1-oxo-4-(phenylsulfamoyl)butan-2-yl]carbamic acid is COC(=O)[C@H](CCS(=O)(=O)Nc1ccccc1)NC(=O)O.
What is the InChIKey of [(2S)-1-methoxy-1-oxo-4-(phenylsulfamoyl)butan-2-yl]carbamic acid?
The InChIKey is UJJAWLGOQVFRHC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N2O6S/c1-20-11(15)10(13-12(16)17)7-8-21(18,19)14-9-5-3-2-4-6-9/h2-6,10,13-14H,7-8H2,1H3,(H,16,17)/t10-/m0/s1.
What are the key properties of [(2S)-1-methoxy-1-oxo-4-(phenylsulfamoyl)butan-2-yl]carbamic acid?
[(2S)-1-methoxy-1-oxo-4-(phenylsulfamoyl)butan-2-yl]carbamic acid has a molecular weight of 316.34 g/mol, XLogP of 0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-methoxy-1-oxo-4-(phenylsulfamoyl)butan-2-yl]carbamic acid is sourced from PubChem (CID 68792270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).