N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-sulfonamide

C17H21F3N4O4S — CID 164639448

IUPACN-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-sulfonamide
SMILESCCN1C[C@@H](CN(C)S(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)oc2C)CC1=O
InChIInChI=1S/C17H21F3N4O4S/c1-4-24-9-11(5-16(24)25)8-23(3)29(26,27)14-7-13(28-10(14)2)12-6-15(22-21-12)17(18,19)20/h6-7,11H,4-5,8-9H2,1-3H3,(H,21,22)/t11-/m1/s1
InChIKeyIEOUTBSDUZMCDF-LLVKDONJSA-N
MW434.44 g/mol
LogP2.49
Rot. Bonds6

About N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-sulfonamide

N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-sulfonamide (PubChem CID 164639448) has the molecular formula C17H21F3N4O4S and a molecular weight of 434.44 g/mol. Its IUPAC name is N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-sulfonamide.

Molecular Properties

Compound NameN-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-sulfonamide
PubChem CID164639448
Molecular FormulaC17H21F3N4O4S
Molecular Weight434.44 g/mol
Exact Mass434.12
IUPAC NameN-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-sulfonamide
SMILESCCN1C[C@@H](CN(C)S(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)oc2C)CC1=O
InChIInChI=1S/C17H21F3N4O4S/c1-4-24-9-11(5-16(24)25)8-23(3)29(26,27)14-7-13(28-10(14)2)12-6-15(22-21-12)17(18,19)20/h6-7,11H,4-5,8-9H2,1-3H3,(H,21,22)/t11-/m1/s1
InChIKeyIEOUTBSDUZMCDF-LLVKDONJSA-N
XLogP2.49
TPSA99.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-sulfonamide?
The IUPAC name of N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-sulfonamide (CID 164639448) is N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-sulfonamide.
What is the SMILES notation for N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-sulfonamide?
The canonical SMILES for N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-sulfonamide is CCN1C[C@@H](CN(C)S(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)oc2C)CC1=O.
What is the InChIKey of N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-sulfonamide?
The InChIKey is IEOUTBSDUZMCDF-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21F3N4O4S/c1-4-24-9-11(5-16(24)25)8-23(3)29(26,27)14-7-13(28-10(14)2)12-6-15(22-21-12)17(18,19)20/h6-7,11H,4-5,8-9H2,1-3H3,(H,21,22)/t11-/m1/s1.
What are the key properties of N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-sulfonamide?
N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-sulfonamide has a molecular weight of 434.44 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-sulfonamide is sourced from PubChem (CID 164639448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).