(2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[6-oxo-1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide

C28H27F3N4O5S — CID 137353676

IUPAC(2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[6-oxo-1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESCC(C)n1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cnccc3o2)cc(-c2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C28H27F3N4O5S/c1-17(2)34-16-18(12-22(27(34)37)19-5-7-21(8-6-19)28(29,30)31)14-33-26(36)23-4-3-11-35(23)41(38,39)25-13-20-15-32-10-9-24(20)40-25/h5-10,12-13,15-17,23H,3-4,11,14H2,1-2H3,(H,33,36)/t23-/m0/s1
InChIKeyVQFGKTDMHDUGMB-QHCPKHFHSA-N
MW588.61 g/mol
LogP4.73
Rot. Bonds7

About (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[6-oxo-1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide

(2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[6-oxo-1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 137353676) has the molecular formula C28H27F3N4O5S and a molecular weight of 588.61 g/mol. Its IUPAC name is (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[6-oxo-1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[6-oxo-1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
PubChem CID137353676
Molecular FormulaC28H27F3N4O5S
Molecular Weight588.61 g/mol
Exact Mass588.17
IUPAC Name(2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[6-oxo-1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESCC(C)n1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cnccc3o2)cc(-c2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C28H27F3N4O5S/c1-17(2)34-16-18(12-22(27(34)37)19-5-7-21(8-6-19)28(29,30)31)14-33-26(36)23-4-3-11-35(23)41(38,39)25-13-20-15-32-10-9-24(20)40-25/h5-10,12-13,15-17,23H,3-4,11,14H2,1-2H3,(H,33,36)/t23-/m0/s1
InChIKeyVQFGKTDMHDUGMB-QHCPKHFHSA-N
XLogP4.73
TPSA114.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.61
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[6-oxo-1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[6-oxo-1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[6-oxo-1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide (CID 137353676) is (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[6-oxo-1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[6-oxo-1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[6-oxo-1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide is CC(C)n1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cnccc3o2)cc(-c2ccc(C(F)(F)F)cc2)c1=O.
What is the InChIKey of (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[6-oxo-1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is VQFGKTDMHDUGMB-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H27F3N4O5S/c1-17(2)34-16-18(12-22(27(34)37)19-5-7-21(8-6-19)28(29,30)31)14-33-26(36)23-4-3-11-35(23)41(38,39)25-13-20-15-32-10-9-24(20)40-25/h5-10,12-13,15-17,23H,3-4,11,14H2,1-2H3,(H,33,36)/t23-/m0/s1.
What are the key properties of (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[6-oxo-1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
(2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[6-oxo-1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 588.61 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[6-oxo-1-propan-2-yl-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 137353676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).