N-[3-[3-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide

C19H22N2O4S — CID 3721425

IUPACN-[3-[3-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCCCN2C(=O)CSC2c2ccc(C)o2)c1
InChIInChI=1S/C19H22N2O4S/c1-13-7-8-17(25-13)19-21(18(23)12-26-19)9-4-10-24-16-6-3-5-15(11-16)20-14(2)22/h3,5-8,11,19H,4,9-10,12H2,1-2H3,(H,20,22)
InChIKeyXDSLXNNOETVDDY-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.59
Rot. Bonds7

About N-[3-[3-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide

N-[3-[3-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide (PubChem CID 3721425) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[3-[3-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide
PubChem CID3721425
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[3-[3-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCCCN2C(=O)CSC2c2ccc(C)o2)c1
InChIInChI=1S/C19H22N2O4S/c1-13-7-8-17(25-13)19-21(18(23)12-26-19)9-4-10-24-16-6-3-5-15(11-16)20-14(2)22/h3,5-8,11,19H,4,9-10,12H2,1-2H3,(H,20,22)
InChIKeyXDSLXNNOETVDDY-UHFFFAOYSA-N
XLogP3.59
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[3-[2-(3-bromothiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide
CID 3560653
N-[3-[3-[2-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide
CID 3313329
N-[3-[3-(4-oxo-2-pyridin-2-yl-1,3-thiazinan-3-yl)propoxy]phenyl]acetamide
CID 3810441
3-(2-methoxyethyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one
CID 21204936
N-[4-[3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide
CID 3847513
5-methyl-N-(3-propoxyphenyl)furan-2-carboxamide
CID 2260679
N-[3-(4-oxopentoxy)phenyl]acetamide
CID 62030070
ethyl 2-[[2-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate
CID 3867158
N-[3-(5-hydroxypentoxy)phenyl]acetamide
CID 62229002
N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide
CID 71811695
3-(3-butoxypropyl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3792966
3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one
CID 4686422

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide?
The IUPAC name of N-[3-[3-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide (CID 3721425) is N-[3-[3-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide?
The canonical SMILES for N-[3-[3-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide is CC(=O)Nc1cccc(OCCCN2C(=O)CSC2c2ccc(C)o2)c1.
What is the InChIKey of N-[3-[3-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide?
The InChIKey is XDSLXNNOETVDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13-7-8-17(25-13)19-21(18(23)12-26-19)9-4-10-24-16-6-3-5-15(11-16)20-14(2)22/h3,5-8,11,19H,4,9-10,12H2,1-2H3,(H,20,22).
What are the key properties of N-[3-[3-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide?
N-[3-[3-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide has a molecular weight of 374.46 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide is sourced from PubChem (CID 3721425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).