N-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylthiophene-2-carboxamide

C21H26N2O3S2 — CID 42815388

IUPACN-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylthiophene-2-carboxamide
SMILESCCC1SC(c2ccccc2OC)N(CCCN(C)C(=O)c2cccs2)C1=O
InChIInChI=1S/C21H26N2O3S2/c1-4-17-20(25)23(21(28-17)15-9-5-6-10-16(15)26-3)13-8-12-22(2)19(24)18-11-7-14-27-18/h5-7,9-11,14,17,21H,4,8,12-13H2,1-3H3
InChIKeyOGAWGPBYZQECSY-UHFFFAOYSA-N
MW418.58 g/mol
LogP4.27
Rot. Bonds8

About N-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylthiophene-2-carboxamide

N-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylthiophene-2-carboxamide (PubChem CID 42815388) has the molecular formula C21H26N2O3S2 and a molecular weight of 418.58 g/mol. Its IUPAC name is N-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylthiophene-2-carboxamide
PubChem CID42815388
Molecular FormulaC21H26N2O3S2
Molecular Weight418.58 g/mol
Exact Mass418.14
IUPAC NameN-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylthiophene-2-carboxamide
SMILESCCC1SC(c2ccccc2OC)N(CCCN(C)C(=O)c2cccs2)C1=O
InChIInChI=1S/C21H26N2O3S2/c1-4-17-20(25)23(21(28-17)15-9-5-6-10-16(15)26-3)13-8-12-22(2)19(24)18-11-7-14-27-18/h5-7,9-11,14,17,21H,4,8,12-13H2,1-3H3
InChIKeyOGAWGPBYZQECSY-UHFFFAOYSA-N
XLogP4.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-1-methyl-3-propan-2-ylurea
CID 42815417
3-[3-(diethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3871093
N-[3-[5-ethyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide
CID 42815436
(2S)-2-(2,4-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 1155360
N-(5-hydroxypentyl)-N-methylthiophene-2-carboxamide
CID 107202244
3-(2-methoxyphenyl)-1-methyl-1-[2-(5-methyl-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethyl]urea
CID 46137544
N-[2-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-2-methyl-N-propan-2-ylpropanamide
CID 42815296
3-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)propanamide
CID 42815127
(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 32695368
(2R)-1-[3-(dimethylamino)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 28768171
N-methyl-N-(2-phenoxyethyl)thiophene-2-carboxamide
CID 60630814
3-acetyl-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 3132696

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylthiophene-2-carboxamide (CID 42815388) is N-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylthiophene-2-carboxamide is CCC1SC(c2ccccc2OC)N(CCCN(C)C(=O)c2cccs2)C1=O.
What is the InChIKey of N-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylthiophene-2-carboxamide?
The InChIKey is OGAWGPBYZQECSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S2/c1-4-17-20(25)23(21(28-17)15-9-5-6-10-16(15)26-3)13-8-12-22(2)19(24)18-11-7-14-27-18/h5-7,9-11,14,17,21H,4,8,12-13H2,1-3H3.
What are the key properties of N-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylthiophene-2-carboxamide?
N-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylthiophene-2-carboxamide has a molecular weight of 418.58 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 42815388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).