N-[1-oxo-1-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]propan-2-yl]furan-2-carboxamide

C20H22F3N3O6S — CID 4885012

IUPACN-[1-oxo-1-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]propan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F
InChIInChI=1S/C20H22F3N3O6S/c1-13(24-19(28)17-5-4-10-31-17)18(27)25-15-11-14(33(29,30)26-8-2-3-9-26)6-7-16(15)32-12-20(21,22)23/h4-7,10-11,13H,2-3,8-9,12H2,1H3,(H,24,28)(H,25,27)
InChIKeyRBSFDAPESHCFHJ-UHFFFAOYSA-N
MW489.47 g/mol
LogP2.76
Rot. Bonds8

About N-[1-oxo-1-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]propan-2-yl]furan-2-carboxamide

N-[1-oxo-1-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]propan-2-yl]furan-2-carboxamide (PubChem CID 4885012) has the molecular formula C20H22F3N3O6S and a molecular weight of 489.47 g/mol. Its IUPAC name is N-[1-oxo-1-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]propan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]propan-2-yl]furan-2-carboxamide
PubChem CID4885012
Molecular FormulaC20H22F3N3O6S
Molecular Weight489.47 g/mol
Exact Mass489.12
IUPAC NameN-[1-oxo-1-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]propan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F
InChIInChI=1S/C20H22F3N3O6S/c1-13(24-19(28)17-5-4-10-31-17)18(27)25-15-11-14(33(29,30)26-8-2-3-9-26)6-7-16(15)32-12-20(21,22)23/h4-7,10-11,13H,2-3,8-9,12H2,1H3,(H,24,28)(H,25,27)
InChIKeyRBSFDAPESHCFHJ-UHFFFAOYSA-N
XLogP2.76
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.47
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(E)-3-(furan-2-yl)-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide
CID 6215401
4-methyl-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 4800649
N-[5-(azepan-1-ylsulfonyl)-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxyethoxy)acetamide
CID 43037505
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] (2R)-2-(furan-2-carbonylamino)propanoate
CID 40834225
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(furan-2-carbonylamino)propanoate
CID 42971861
N-[5-(azepan-1-ylsulfonyl)-2-(2,2,2-trifluoroethoxy)phenyl]-3-methylthiophene-2-carboxamide
CID 3305353
2-ethoxy-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 4880424
N-[3-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide
CID 4817035
3-methyl-N-[5-piperidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 25498374
N-[5-(azepan-1-ylsulfonyl)-2-(2,2,2-trifluoroethoxy)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 43030392
N-[(2S)-1-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 26007431
N-[1-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyanilino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 5028088

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]propan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-oxo-1-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]propan-2-yl]furan-2-carboxamide (CID 4885012) is N-[1-oxo-1-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]propan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-oxo-1-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]propan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-oxo-1-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]propan-2-yl]furan-2-carboxamide is CC(NC(=O)c1ccco1)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F.
What is the InChIKey of N-[1-oxo-1-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]propan-2-yl]furan-2-carboxamide?
The InChIKey is RBSFDAPESHCFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O6S/c1-13(24-19(28)17-5-4-10-31-17)18(27)25-15-11-14(33(29,30)26-8-2-3-9-26)6-7-16(15)32-12-20(21,22)23/h4-7,10-11,13H,2-3,8-9,12H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-[1-oxo-1-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]propan-2-yl]furan-2-carboxamide?
N-[1-oxo-1-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]propan-2-yl]furan-2-carboxamide has a molecular weight of 489.47 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]propan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 4885012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).