N-[3-[5-ethyl-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide

C18H27FN2O3S2 — CID 42815435

IUPACN-[3-[5-ethyl-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CCCN1C(=O)C(CC)SC1c1cccc(F)c1
InChIInChI=1S/C18H27FN2O3S2/c1-4-12-26(23,24)20(3)10-7-11-21-17(22)16(5-2)25-18(21)14-8-6-9-15(19)13-14/h6,8-9,13,16,18H,4-5,7,10-12H2,1-3H3
InChIKeySMRCHHIVUOJTPX-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.24
Rot. Bonds9

About N-[3-[5-ethyl-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide

N-[3-[5-ethyl-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide (PubChem CID 42815435) has the molecular formula C18H27FN2O3S2 and a molecular weight of 402.56 g/mol. Its IUPAC name is N-[3-[5-ethyl-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[5-ethyl-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide
PubChem CID42815435
Molecular FormulaC18H27FN2O3S2
Molecular Weight402.56 g/mol
Exact Mass402.14
IUPAC NameN-[3-[5-ethyl-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CCCN1C(=O)C(CC)SC1c1cccc(F)c1
InChIInChI=1S/C18H27FN2O3S2/c1-4-12-26(23,24)20(3)10-7-11-21-17(22)16(5-2)25-18(21)14-8-6-9-15(19)13-14/h6,8-9,13,16,18H,4-5,7,10-12H2,1-3H3
InChIKeySMRCHHIVUOJTPX-UHFFFAOYSA-N
XLogP3.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[5-ethyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide
CID 42815436
5-ethyl-2-(3-fluorophenyl)-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one
CID 83273286
3-[3-(dimethylamino)propyl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83250449
(2R)-2-(3-fluorophenyl)-3-[2-[(2R)-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 3066277
(4Z)-1-[3-(dimethylamino)propyl]-5-(3-fluorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione
CID 6083591
1-[3-(dimethylamino)propyl]-5-(3-fluorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione
CID 3957110
(4E,5S)-1-[3-(dimethylamino)propyl]-4-[(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-hydroxymethylidene]-5-(3-fluorophenyl)pyrrolidine-2,3-dione
CID 98386602
5-amino-4-(3-fluorophenyl)-3-propyl-4H-imidazol-2-one
CID 79959461
1-[3-(diethylamino)propyl]-5-(3-fluorophenyl)-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]pyrrolidine-2,3-dione
CID 3908488
(5R)-1-[3-(dimethylamino)propyl]-5-(3-fluorophenyl)-4-[hydroxy-(5-methyl-1-phenylpyrazol-4-yl)methylidene]pyrrolidine-2,3-dione
CID 40830933
(4Z)-1-[3-(dimethylamino)propyl]-5-(3-fluorophenyl)-4-[hydroxy-(5-methyl-1-phenylpyrazol-4-yl)methylidene]pyrrolidine-2,3-dione
CID 6281746
2-(3-fluorophenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one
CID 12050572

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-ethyl-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide?
The IUPAC name of N-[3-[5-ethyl-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide (CID 42815435) is N-[3-[5-ethyl-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[3-[5-ethyl-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-[3-[5-ethyl-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide is CCCS(=O)(=O)N(C)CCCN1C(=O)C(CC)SC1c1cccc(F)c1.
What is the InChIKey of N-[3-[5-ethyl-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide?
The InChIKey is SMRCHHIVUOJTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O3S2/c1-4-12-26(23,24)20(3)10-7-11-21-17(22)16(5-2)25-18(21)14-8-6-9-15(19)13-14/h6,8-9,13,16,18H,4-5,7,10-12H2,1-3H3.
What are the key properties of N-[3-[5-ethyl-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide?
N-[3-[5-ethyl-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide has a molecular weight of 402.56 g/mol, XLogP of 3.24, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-ethyl-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 42815435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).