methyl 5-[methyl-[(2S)-2-phenylpropyl]sulfamoyl]furan-2-carboxylate

C16H19NO5S — CID 95319371

IUPACmethyl 5-[methyl-[(2S)-2-phenylpropyl]sulfamoyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(C)C[C@@H](C)c2ccccc2)o1
InChIInChI=1S/C16H19NO5S/c1-12(13-7-5-4-6-8-13)11-17(2)23(19,20)15-10-9-14(22-15)16(18)21-3/h4-10,12H,11H2,1-3H3/t12-/m1/s1
InChIKeyHKUXTNGUJQRYAB-GFCCVEGCSA-N
MW337.40 g/mol
LogP2.49
Rot. Bonds6

About methyl 5-[methyl-[(2S)-2-phenylpropyl]sulfamoyl]furan-2-carboxylate

methyl 5-[methyl-[(2S)-2-phenylpropyl]sulfamoyl]furan-2-carboxylate (PubChem CID 95319371) has the molecular formula C16H19NO5S and a molecular weight of 337.40 g/mol. Its IUPAC name is methyl 5-[methyl-[(2S)-2-phenylpropyl]sulfamoyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[methyl-[(2S)-2-phenylpropyl]sulfamoyl]furan-2-carboxylate
PubChem CID95319371
Molecular FormulaC16H19NO5S
Molecular Weight337.40 g/mol
Exact Mass337.10
IUPAC Namemethyl 5-[methyl-[(2S)-2-phenylpropyl]sulfamoyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(C)C[C@@H](C)c2ccccc2)o1
InChIInChI=1S/C16H19NO5S/c1-12(13-7-5-4-6-8-13)11-17(2)23(19,20)15-10-9-14(22-15)16(18)21-3/h4-10,12H,11H2,1-3H3/t12-/m1/s1
InChIKeyHKUXTNGUJQRYAB-GFCCVEGCSA-N
XLogP2.49
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[1-(2-phenylpropylamino)ethyl]furan-2-carboxylate
CID 103265575
methyl 5-sulfamoylfuran-2-carboxylate
CID 3146896
3-[(5-methoxycarbonylfuran-2-yl)sulfonylamino]propanoic acid
CID 39733384
methyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate
CID 86175043
sodium 5-methoxycarbonylfuran-2-sulfonate
CID 87385701
5-[methyl-[(2S)-2-phenylpropyl]carbamoyl]furan-2-carboxylic acid
CID 99851700
5-[3-methoxypropyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 62986254
5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]furan-2-carboxylic acid
CID 60951869
4-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-phenylbutanoic acid
CID 119201090
5-[butan-2-yl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 43272665
methyl 5-[[(2S)-1-[(3-amino-3-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]sulfamoyl]furan-2-carboxylate
CID 96542219
methyl 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]furan-2-carboxylate;hydrochloride
CID 119985233

Frequently Asked Questions

What is the IUPAC name of methyl 5-[methyl-[(2S)-2-phenylpropyl]sulfamoyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[methyl-[(2S)-2-phenylpropyl]sulfamoyl]furan-2-carboxylate (CID 95319371) is methyl 5-[methyl-[(2S)-2-phenylpropyl]sulfamoyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[methyl-[(2S)-2-phenylpropyl]sulfamoyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[methyl-[(2S)-2-phenylpropyl]sulfamoyl]furan-2-carboxylate is COC(=O)c1ccc(S(=O)(=O)N(C)C[C@@H](C)c2ccccc2)o1.
What is the InChIKey of methyl 5-[methyl-[(2S)-2-phenylpropyl]sulfamoyl]furan-2-carboxylate?
The InChIKey is HKUXTNGUJQRYAB-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19NO5S/c1-12(13-7-5-4-6-8-13)11-17(2)23(19,20)15-10-9-14(22-15)16(18)21-3/h4-10,12H,11H2,1-3H3/t12-/m1/s1.
What are the key properties of methyl 5-[methyl-[(2S)-2-phenylpropyl]sulfamoyl]furan-2-carboxylate?
methyl 5-[methyl-[(2S)-2-phenylpropyl]sulfamoyl]furan-2-carboxylate has a molecular weight of 337.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[methyl-[(2S)-2-phenylpropyl]sulfamoyl]furan-2-carboxylate is sourced from PubChem (CID 95319371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).