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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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).