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

C19H30N2O3S2 — CID 42815436

IUPACN-[3-[5-ethyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CCCN1C(=O)C(CC)SC1c1ccccc1C
InChIInChI=1S/C19H30N2O3S2/c1-5-14-26(23,24)20(4)12-9-13-21-18(22)17(6-2)25-19(21)16-11-8-7-10-15(16)3/h7-8,10-11,17,19H,5-6,9,12-14H2,1-4H3
InChIKeyCLDVQOVWEWLVHO-UHFFFAOYSA-N
MW398.59 g/mol
LogP3.41
Rot. Bonds9

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

N-[3-[5-ethyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide (PubChem CID 42815436) has the molecular formula C19H30N2O3S2 and a molecular weight of 398.59 g/mol. Its IUPAC name is N-[3-[5-ethyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[5-ethyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide
PubChem CID42815436
Molecular FormulaC19H30N2O3S2
Molecular Weight398.59 g/mol
Exact Mass398.17
IUPAC NameN-[3-[5-ethyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CCCN1C(=O)C(CC)SC1c1ccccc1C
InChIInChI=1S/C19H30N2O3S2/c1-5-14-26(23,24)20(4)12-9-13-21-18(22)17(6-2)25-19(21)16-11-8-7-10-15(16)3/h7-8,10-11,17,19H,5-6,9,12-14H2,1-4H3
InChIKeyCLDVQOVWEWLVHO-UHFFFAOYSA-N
XLogP3.41
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.59
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[5-ethyl-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide
CID 42815435
5-ethyl-2-(2-methylphenyl)-3-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-1,3-thiazolidin-4-one
CID 42814880
5-ethyl-2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one
CID 24715488
1-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-1-methyl-3-propan-2-ylurea
CID 42815417
N-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylthiophene-2-carboxamide
CID 42815388
1-[2-[2-(2-chlorophenyl)-5-ethyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-ethyl-3-propan-2-ylurea
CID 42815421
3-(3-methoxypropyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3849809
2-(4-oxo-2-phenyl-3-propyl-1,3-thiazolidin-5-yl)acetic acid
CID 82019199
3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3771055
(4E)-4-[(2,6-dimethoxyphenyl)-hydroxymethylidene]-1-[3-(dimethylamino)propyl]-5-(2-methylphenyl)pyrrolidine-2,3-dione
CID 108651961
3-butyl-2-(2-methylphenyl)-5-propan-2-ylimidazolidin-4-one
CID 83236786
2-(2-methylphenyl)-3-pentyl-5-propylimidazolidin-4-one
CID 83246229

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-ethyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide?
The IUPAC name of N-[3-[5-ethyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide (CID 42815436) is N-[3-[5-ethyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[3-[5-ethyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-[3-[5-ethyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide is CCCS(=O)(=O)N(C)CCCN1C(=O)C(CC)SC1c1ccccc1C.
What is the InChIKey of N-[3-[5-ethyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide?
The InChIKey is CLDVQOVWEWLVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S2/c1-5-14-26(23,24)20(4)12-9-13-21-18(22)17(6-2)25-19(21)16-11-8-7-10-15(16)3/h7-8,10-11,17,19H,5-6,9,12-14H2,1-4H3.
What are the key properties of N-[3-[5-ethyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide?
N-[3-[5-ethyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide has a molecular weight of 398.59 g/mol, XLogP of 3.41, 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-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 42815436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).