N-(3-chloro-4-methoxyphenyl)-2-[(5S)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide

C17H22ClN3O4S — CID 135705036

IUPACN-(3-chloro-4-methoxyphenyl)-2-[(5S)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCOCCC/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(OC)c(Cl)c2)S1
InChIInChI=1S/C17H22ClN3O4S/c1-3-25-8-4-7-19-17-21-16(23)14(26-17)10-15(22)20-11-5-6-13(24-2)12(18)9-11/h5-6,9,14H,3-4,7-8,10H2,1-2H3,(H,20,22)(H,19,21,23)/t14-/m0/s1
InChIKeySQQLIZRLAYWSGE-AWEZNQCLSA-N
MW399.90 g/mol
LogP2.69
Rot. Bonds9

About N-(3-chloro-4-methoxyphenyl)-2-[(5S)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[(5S)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135705036) has the molecular formula C17H22ClN3O4S and a molecular weight of 399.90 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[(5S)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[(5S)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135705036
Molecular FormulaC17H22ClN3O4S
Molecular Weight399.90 g/mol
Exact Mass399.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[(5S)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCOCCC/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(OC)c(Cl)c2)S1
InChIInChI=1S/C17H22ClN3O4S/c1-3-25-8-4-7-19-17-21-16(23)14(26-17)10-15(22)20-11-5-6-13(24-2)12(18)9-11/h5-6,9,14H,3-4,7-8,10H2,1-2H3,(H,20,22)(H,19,21,23)/t14-/m0/s1
InChIKeySQQLIZRLAYWSGE-AWEZNQCLSA-N
XLogP2.69
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dichlorophenyl)-2-[(5R)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135705027
N-(3-chloro-4-methoxyphenyl)-2-[(5R)-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135836348
2-[(5R)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 135705020
N-(3-chloro-4-methoxyphenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 137318984
N-(3,4-dimethoxyphenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide
CID 135535522
N-(4-bromophenyl)-2-[(5R)-2-butylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691786
2-[(5R)-2-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135691792
N-(3,5-dichlorophenyl)-2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135797682
2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 135691436
N-(3-chloro-4-methylphenyl)-2-[(2E,5R)-2-[(Z)-1-(3,4-dimethoxyphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135852772
N-(3-chloro-4-methylphenyl)-2-[(5R)-2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135724972
N-(3-chloro-4-methylphenyl)-2-[(5S)-2-[(2S)-1-methoxypropan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135881502

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[(5S)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[(5S)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135705036) is N-(3-chloro-4-methoxyphenyl)-2-[(5S)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[(5S)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[(5S)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide is CCOCCC/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(OC)c(Cl)c2)S1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[(5S)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is SQQLIZRLAYWSGE-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22ClN3O4S/c1-3-25-8-4-7-19-17-21-16(23)14(26-17)10-15(22)20-11-5-6-13(24-2)12(18)9-11/h5-6,9,14H,3-4,7-8,10H2,1-2H3,(H,20,22)(H,19,21,23)/t14-/m0/s1.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[(5S)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[(5S)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 399.90 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[(5S)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135705036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).