(2S)-N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide

C19H19N3O4S — CID 51035281

IUPAC(2S)-N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCc1ccco1)[C@@H]1CCCN1S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C19H19N3O4S/c23-19(21-13-15-7-4-12-26-15)16-8-3-11-22(16)27(24,25)17-9-1-5-14-6-2-10-20-18(14)17/h1-2,4-7,9-10,12,16H,3,8,11,13H2,(H,21,23)/t16-/m0/s1
InChIKeyFAKUBJUCDIPJPS-INIZCTEOSA-N
MW385.45 g/mol
LogP2.30
Rot. Bonds5

About (2S)-N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide

(2S)-N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 51035281) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is (2S)-N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID51035281
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name(2S)-N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCc1ccco1)[C@@H]1CCCN1S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C19H19N3O4S/c23-19(21-13-15-7-4-12-26-15)16-8-3-11-22(16)27(24,25)17-9-1-5-14-6-2-10-20-18(14)17/h1-2,4-7,9-10,12,16H,3,8,11,13H2,(H,21,23)/t16-/m0/s1
InChIKeyFAKUBJUCDIPJPS-INIZCTEOSA-N
XLogP2.30
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide (CID 51035281) is (2S)-N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide is O=C(NCc1ccco1)[C@@H]1CCCN1S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of (2S)-N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is FAKUBJUCDIPJPS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19N3O4S/c23-19(21-13-15-7-4-12-26-15)16-8-3-11-22(16)27(24,25)17-9-1-5-14-6-2-10-20-18(14)17/h1-2,4-7,9-10,12,16H,3,8,11,13H2,(H,21,23)/t16-/m0/s1.
What are the key properties of (2S)-N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?
(2S)-N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 51035281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).