ethyl 2-[[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-methylsulfamoyl]amino]acetate

C17H25FN2O5S — CID 134553660

IUPACethyl 2-[[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-methylsulfamoyl]amino]acetate
SMILESCCOC(=O)CNS(=O)(=O)N(C)[C@H](C)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C17H25FN2O5S/c1-4-24-17(21)10-19-26(22,23)20(3)12(2)14-7-8-15(18)16(9-14)25-11-13-5-6-13/h7-9,12-13,19H,4-6,10-11H2,1-3H3/t12-/m1/s1
InChIKeyARYKGEGOUKUJAV-GFCCVEGCSA-N
MW388.46 g/mol
LogP2.00
Rot. Bonds10

About ethyl 2-[[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-methylsulfamoyl]amino]acetate

ethyl 2-[[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-methylsulfamoyl]amino]acetate (PubChem CID 134553660) has the molecular formula C17H25FN2O5S and a molecular weight of 388.46 g/mol. Its IUPAC name is ethyl 2-[[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-methylsulfamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-methylsulfamoyl]amino]acetate
PubChem CID134553660
Molecular FormulaC17H25FN2O5S
Molecular Weight388.46 g/mol
Exact Mass388.15
IUPAC Nameethyl 2-[[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-methylsulfamoyl]amino]acetate
SMILESCCOC(=O)CNS(=O)(=O)N(C)[C@H](C)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C17H25FN2O5S/c1-4-24-17(21)10-19-26(22,23)20(3)12(2)14-7-8-15(18)16(9-14)25-11-13-5-6-13/h7-9,12-13,19H,4-6,10-11H2,1-3H3/t12-/m1/s1
InChIKeyARYKGEGOUKUJAV-GFCCVEGCSA-N
XLogP2.00
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-methylsulfamoyl]amino]acetate with MolForge

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Related Compounds

N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-N-methylformamide
CID 142360430
ethyl 4-[4-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]phenyl]butanoate
CID 158673498
ethyl 2-[3-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfamoyl]propoxymethyl-ethoxycarbonylamino]acetate
CID 154023971
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine
CID 142360265
(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N,2-dimethylpropan-1-amine
CID 142399901
4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2,5-dimethylhexane-2-sulfinamide
CID 167358601
ethyl 2-(2-fluoro-5-propan-2-ylphenoxy)acetate
CID 137495372
[4-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]phenyl]methanamine
CID 158673497
4-(1-butylsulfonylbutan-2-yl)-2-(cyclopropylmethoxy)-1-fluorobenzene
CID 58218476
2-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]sulfamoyl]pentylamino]acetic acid
CID 135186512
3-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]butyl]sulfamoyl]propyl acetate
CID 155370300
ethyl 2-[5-[(3R)-3-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]butyl]sulfonylpentylamino]acetate
CID 145227636

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-methylsulfamoyl]amino]acetate?
The IUPAC name of ethyl 2-[[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-methylsulfamoyl]amino]acetate (CID 134553660) is ethyl 2-[[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-methylsulfamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-methylsulfamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-methylsulfamoyl]amino]acetate is CCOC(=O)CNS(=O)(=O)N(C)[C@H](C)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of ethyl 2-[[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-methylsulfamoyl]amino]acetate?
The InChIKey is ARYKGEGOUKUJAV-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H25FN2O5S/c1-4-24-17(21)10-19-26(22,23)20(3)12(2)14-7-8-15(18)16(9-14)25-11-13-5-6-13/h7-9,12-13,19H,4-6,10-11H2,1-3H3/t12-/m1/s1.
What are the key properties of ethyl 2-[[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-methylsulfamoyl]amino]acetate?
ethyl 2-[[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-methylsulfamoyl]amino]acetate has a molecular weight of 388.46 g/mol, XLogP of 2.00, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-methylsulfamoyl]amino]acetate is sourced from PubChem (CID 134553660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).