[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-sulfamoylthiophene-3-carboxylate

C15H15N3O6S2 — CID 55462894

IUPAC[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-sulfamoylthiophene-3-carboxylate
SMILESCNC(=O)NC(=O)C(OC(=O)c1csc(S(N)(=O)=O)c1)c1ccccc1
InChIInChI=1S/C15H15N3O6S2/c1-17-15(21)18-13(19)12(9-5-3-2-4-6-9)24-14(20)10-7-11(25-8-10)26(16,22)23/h2-8,12H,1H3,(H2,16,22,23)(H2,17,18,19,21)
InChIKeyMUXUJVDNJHMRLR-UHFFFAOYSA-N
MW397.43 g/mol
LogP0.75
Rot. Bonds5

About [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-sulfamoylthiophene-3-carboxylate

[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-sulfamoylthiophene-3-carboxylate (PubChem CID 55462894) has the molecular formula C15H15N3O6S2 and a molecular weight of 397.43 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-sulfamoylthiophene-3-carboxylate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-sulfamoylthiophene-3-carboxylate
PubChem CID55462894
Molecular FormulaC15H15N3O6S2
Molecular Weight397.43 g/mol
Exact Mass397.04
IUPAC Name[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-sulfamoylthiophene-3-carboxylate
SMILESCNC(=O)NC(=O)C(OC(=O)c1csc(S(N)(=O)=O)c1)c1ccccc1
InChIInChI=1S/C15H15N3O6S2/c1-17-15(21)18-13(19)12(9-5-3-2-4-6-9)24-14(20)10-7-11(25-8-10)26(16,22)23/h2-8,12H,1H3,(H2,16,22,23)(H2,17,18,19,21)
InChIKeyMUXUJVDNJHMRLR-UHFFFAOYSA-N
XLogP0.75
TPSA144.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 5-sulfamoylthiophene-3-carboxylate
CID 30589098
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate
CID 7478175
1-O-methyl 4-O-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] benzene-1,4-dicarboxylate
CID 7239688
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] naphthalene-2-carboxylate
CID 2674820
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-fluoro-4-methoxybenzoate
CID 7523142
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(1,3-dithiolan-2-yl)benzoate
CID 7744502
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(methoxymethyl)benzoate
CID 9065111
[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 55385480
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 6-chloropyridine-3-carboxylate
CID 8017829
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 2675002
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 2675000
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylbenzoate
CID 2674912

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-sulfamoylthiophene-3-carboxylate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-sulfamoylthiophene-3-carboxylate (CID 55462894) is [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-sulfamoylthiophene-3-carboxylate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-sulfamoylthiophene-3-carboxylate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-sulfamoylthiophene-3-carboxylate is CNC(=O)NC(=O)C(OC(=O)c1csc(S(N)(=O)=O)c1)c1ccccc1.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-sulfamoylthiophene-3-carboxylate?
The InChIKey is MUXUJVDNJHMRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O6S2/c1-17-15(21)18-13(19)12(9-5-3-2-4-6-9)24-14(20)10-7-11(25-8-10)26(16,22)23/h2-8,12H,1H3,(H2,16,22,23)(H2,17,18,19,21).
What are the key properties of [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-sulfamoylthiophene-3-carboxylate?
[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-sulfamoylthiophene-3-carboxylate has a molecular weight of 397.43 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-sulfamoylthiophene-3-carboxylate is sourced from PubChem (CID 55462894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).