(2R)-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrrolidine-2-carboxamide

C22H25FN2O3S — CID 46890295

IUPAC(2R)-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21)[C@H]1CCCN1
InChIInChI=1S/C22H25FN2O3S/c23-17-6-2-7-18(13-17)29(27,28)19-9-10-20-15(12-19)4-1-5-16(20)14-25-22(26)21-8-3-11-24-21/h2,6-7,9-10,12-13,16,21,24H,1,3-5,8,11,14H2,(H,25,26)/t16-,21+/m0/s1
InChIKeyFGLDMQPYGIRXEJ-HRAATJIYSA-N
MW416.52 g/mol
LogP2.95
Rot. Bonds5

About (2R)-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrrolidine-2-carboxamide

(2R)-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 46890295) has the molecular formula C22H25FN2O3S and a molecular weight of 416.52 g/mol. Its IUPAC name is (2R)-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID46890295
Molecular FormulaC22H25FN2O3S
Molecular Weight416.52 g/mol
Exact Mass416.16
IUPAC Name(2R)-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21)[C@H]1CCCN1
InChIInChI=1S/C22H25FN2O3S/c23-17-6-2-7-18(13-17)29(27,28)19-9-10-20-15(12-19)4-1-5-16(20)14-25-22(26)21-8-3-11-24-21/h2,6-7,9-10,12-13,16,21,24H,1,3-5,8,11,14H2,(H,25,26)/t16-,21+/m0/s1
InChIKeyFGLDMQPYGIRXEJ-HRAATJIYSA-N
XLogP2.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrrolidine-2-carboxamide (CID 46890295) is (2R)-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrrolidine-2-carboxamide is O=C(NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is FGLDMQPYGIRXEJ-HRAATJIYSA-N. The full InChI is InChI=1S/C22H25FN2O3S/c23-17-6-2-7-18(13-17)29(27,28)19-9-10-20-15(12-19)4-1-5-16(20)14-25-22(26)21-8-3-11-24-21/h2,6-7,9-10,12-13,16,21,24H,1,3-5,8,11,14H2,(H,25,26)/t16-,21+/m0/s1.
What are the key properties of (2R)-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrrolidine-2-carboxamide?
(2R)-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 46890295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).