(2R,4R)-N-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxypyrrolidine-2-carboxamide

C24H28ClF5N4O3S — CID 156892558

IUPAC(2R,4R)-N-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NC1CCCCC1)C(c1cccnc1)N(C(=O)[C@H]1C[C@@H](O)CN1)c1ccc(S(F)(F)(F)(F)F)cc1Cl
InChIInChI=1S/C24H28ClF5N4O3S/c25-19-12-18(38(26,27,28,29)30)8-9-21(19)34(24(37)20-11-17(35)14-32-20)22(15-5-4-10-31-13-15)23(36)33-16-6-2-1-3-7-16/h4-5,8-10,12-13,16-17,20,22,32,35H,1-3,6-7,11,14H2,(H,33,36)/t17-,20-,22?/m1/s1
InChIKeyGYRGUOGVGXDLDT-IKQMYLSPSA-N
MW583.02 g/mol
LogP5.64
Rot. Bonds7

About (2R,4R)-N-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxypyrrolidine-2-carboxamide

(2R,4R)-N-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 156892558) has the molecular formula C24H28ClF5N4O3S and a molecular weight of 583.02 g/mol. Its IUPAC name is (2R,4R)-N-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID156892558
Molecular FormulaC24H28ClF5N4O3S
Molecular Weight583.02 g/mol
Exact Mass582.15
IUPAC Name(2R,4R)-N-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NC1CCCCC1)C(c1cccnc1)N(C(=O)[C@H]1C[C@@H](O)CN1)c1ccc(S(F)(F)(F)(F)F)cc1Cl
InChIInChI=1S/C24H28ClF5N4O3S/c25-19-12-18(38(26,27,28,29)30)8-9-21(19)34(24(37)20-11-17(35)14-32-20)22(15-5-4-10-31-13-15)23(36)33-16-6-2-1-3-7-16/h4-5,8-10,12-13,16-17,20,22,32,35H,1-3,6-7,11,14H2,(H,33,36)/t17-,20-,22?/m1/s1
InChIKeyGYRGUOGVGXDLDT-IKQMYLSPSA-N
XLogP5.64
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.02
LogP ≤ 55.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,4R)-N-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxypyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-N-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxypyrrolidine-2-carboxamide (CID 156892558) is (2R,4R)-N-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-N-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-N-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxypyrrolidine-2-carboxamide is O=C(NC1CCCCC1)C(c1cccnc1)N(C(=O)[C@H]1C[C@@H](O)CN1)c1ccc(S(F)(F)(F)(F)F)cc1Cl.
What is the InChIKey of (2R,4R)-N-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is GYRGUOGVGXDLDT-IKQMYLSPSA-N. The full InChI is InChI=1S/C24H28ClF5N4O3S/c25-19-12-18(38(26,27,28,29)30)8-9-21(19)34(24(37)20-11-17(35)14-32-20)22(15-5-4-10-31-13-15)23(36)33-16-6-2-1-3-7-16/h4-5,8-10,12-13,16-17,20,22,32,35H,1-3,6-7,11,14H2,(H,33,36)/t17-,20-,22?/m1/s1.
What are the key properties of (2R,4R)-N-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxypyrrolidine-2-carboxamide?
(2R,4R)-N-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 583.02 g/mol, XLogP of 5.64, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenyl]-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 156892558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).