[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate

C16H17FN2O6S — CID 55644118

IUPAC[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate
SMILESCC(OC(=O)c1ccc(S(N)(=O)=O)o1)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C16H17FN2O6S/c1-10(15(20)19(2)9-11-4-3-5-12(17)8-11)24-16(21)13-6-7-14(25-13)26(18,22)23/h3-8,10H,9H2,1-2H3,(H2,18,22,23)
InChIKeyPODRMAIOXCQBCN-UHFFFAOYSA-N
MW384.39 g/mol
LogP1.27
Rot. Bonds6

About [1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate

[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate (PubChem CID 55644118) has the molecular formula C16H17FN2O6S and a molecular weight of 384.39 g/mol. Its IUPAC name is [1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate.

Molecular Properties

Compound Name[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate
PubChem CID55644118
Molecular FormulaC16H17FN2O6S
Molecular Weight384.39 g/mol
Exact Mass384.08
IUPAC Name[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate
SMILESCC(OC(=O)c1ccc(S(N)(=O)=O)o1)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C16H17FN2O6S/c1-10(15(20)19(2)9-11-4-3-5-12(17)8-11)24-16(21)13-6-7-14(25-13)26(18,22)23/h3-8,10H,9H2,1-2H3,(H2,18,22,23)
InChIKeyPODRMAIOXCQBCN-UHFFFAOYSA-N
XLogP1.27
TPSA119.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-Fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 2238809
[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 2357338
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2455525
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 5-methylfuran-2-carboxylate
CID 4842674
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate
CID 6217974
1-(2-Furoyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 2167092
Furan-2-carboxylic acid 1-benzylcarbamoyl-2-methyl-propyl ester
CID 647241
N-(2-fluoro-5-methylphenyl)sulfonyl-1-(furan-2-carbonyl)-2-methylazetidine-2-carboxamide
CID 49790483
2-[Benzyl(tert-butyl)amino]-2-oxoethyl furan-2-carboxylate
CID 2429881
N-[(4-methylphenyl)methyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 40151157
Furan-2-yl(4-(m-tolylsulfonyl)piperazin-1-yl)methanone
CID 2241236
Methyl 5-[benzyl(propan-2-yl)sulfamoyl]furan-2-carboxylate
CID 2814455

Frequently Asked Questions

What is the IUPAC name of [1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate?
The IUPAC name of [1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate (CID 55644118) is [1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate.
What is the SMILES notation for [1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate?
The canonical SMILES for [1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate is CC(OC(=O)c1ccc(S(N)(=O)=O)o1)C(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of [1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate?
The InChIKey is PODRMAIOXCQBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O6S/c1-10(15(20)19(2)9-11-4-3-5-12(17)8-11)24-16(21)13-6-7-14(25-13)26(18,22)23/h3-8,10H,9H2,1-2H3,(H2,18,22,23).
What are the key properties of [1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate?
[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate has a molecular weight of 384.39 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate is sourced from PubChem (CID 55644118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).