[(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 5-sulfamoylthiophene-3-carboxylate

C16H18N2O5S2 — CID 30589098

IUPAC[(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 5-sulfamoylthiophene-3-carboxylate
SMILESC[C@@H](OC(=O)c1csc(S(N)(=O)=O)c1)C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C16H18N2O5S2/c1-10(12-6-4-3-5-7-12)18-15(19)11(2)23-16(20)13-8-14(24-9-13)25(17,21)22/h3-11H,1-2H3,(H,18,19)(H2,17,21,22)/t10-,11-/m1/s1
InChIKeyWJCUDIOYCFFSOA-GHMZBOCLSA-N
MW382.46 g/mol
LogP1.82
Rot. Bonds6

About [(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 5-sulfamoylthiophene-3-carboxylate

[(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 5-sulfamoylthiophene-3-carboxylate (PubChem CID 30589098) has the molecular formula C16H18N2O5S2 and a molecular weight of 382.46 g/mol. Its IUPAC name is [(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 5-sulfamoylthiophene-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 5-sulfamoylthiophene-3-carboxylate
PubChem CID30589098
Molecular FormulaC16H18N2O5S2
Molecular Weight382.46 g/mol
Exact Mass382.07
IUPAC Name[(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 5-sulfamoylthiophene-3-carboxylate
SMILESC[C@@H](OC(=O)c1csc(S(N)(=O)=O)c1)C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C16H18N2O5S2/c1-10(12-6-4-3-5-7-12)18-15(19)11(2)23-16(20)13-8-14(24-9-13)25(17,21)22/h3-11H,1-2H3,(H,18,19)(H2,17,21,22)/t10-,11-/m1/s1
InChIKeyWJCUDIOYCFFSOA-GHMZBOCLSA-N
XLogP1.82
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 5-sulfamoylthiophene-3-carboxylate with MolForge

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Related Compounds

[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate
CID 27936534
[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-sulfamoylthiophene-3-carboxylate
CID 55462894
[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate
CID 46684045
1-(2-chlorophenyl)ethyl 5-sulfamoylthiophene-3-carboxylate
CID 18102722
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate
CID 46648512
4-methylpentan-2-yl 5-sulfamoylthiophene-3-carboxylate
CID 65382673
[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 5-sulfamoylthiophene-3-carboxylate
CID 18206042
[1-oxo-1-(1-phenylethylamino)propan-2-yl] 5-bromo-2-hydroxybenzoate
CID 42975577
N-(1,2-diphenylethyl)-5-sulfamoylthiophene-3-carboxamide
CID 51270710
[1-oxo-1-(1-phenylethylamino)propan-2-yl] 4-(ethoxycarbonylamino)benzoate
CID 46544767
(2S)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10330656
(2R)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10375743

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 5-sulfamoylthiophene-3-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 5-sulfamoylthiophene-3-carboxylate (CID 30589098) is [(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 5-sulfamoylthiophene-3-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 5-sulfamoylthiophene-3-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 5-sulfamoylthiophene-3-carboxylate is C[C@@H](OC(=O)c1csc(S(N)(=O)=O)c1)C(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of [(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 5-sulfamoylthiophene-3-carboxylate?
The InChIKey is WJCUDIOYCFFSOA-GHMZBOCLSA-N. The full InChI is InChI=1S/C16H18N2O5S2/c1-10(12-6-4-3-5-7-12)18-15(19)11(2)23-16(20)13-8-14(24-9-13)25(17,21)22/h3-11H,1-2H3,(H,18,19)(H2,17,21,22)/t10-,11-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 5-sulfamoylthiophene-3-carboxylate?
[(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 5-sulfamoylthiophene-3-carboxylate has a molecular weight of 382.46 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 5-sulfamoylthiophene-3-carboxylate is sourced from PubChem (CID 30589098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).