N-(3-chlorophenyl)-2-[2-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide

C20H21ClN4O3S — CID 110341240

IUPACN-(3-chlorophenyl)-2-[2-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide
SMILESC=CCNC(=S)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)c(OC)c1
InChIInChI=1S/C20H21ClN4O3S/c1-3-9-22-20(29)25-23-12-14-7-8-17(18(10-14)27-2)28-13-19(26)24-16-6-4-5-15(21)11-16/h3-8,10-12H,1,9,13H2,2H3,(H,24,26)(H2,22,25,29)/b23-12+
InChIKeyZBGAHSMCSLGHSI-FSJBWODESA-N
MW432.93 g/mol
LogP3.35
Rot. Bonds9

About N-(3-chlorophenyl)-2-[2-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide

N-(3-chlorophenyl)-2-[2-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide (PubChem CID 110341240) has the molecular formula C20H21ClN4O3S and a molecular weight of 432.93 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[2-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[2-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide
PubChem CID110341240
Molecular FormulaC20H21ClN4O3S
Molecular Weight432.93 g/mol
Exact Mass432.10
IUPAC NameN-(3-chlorophenyl)-2-[2-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide
SMILESC=CCNC(=S)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)c(OC)c1
InChIInChI=1S/C20H21ClN4O3S/c1-3-9-22-20(29)25-23-12-14-7-8-17(18(10-14)27-2)28-13-19(26)24-16-6-4-5-15(21)11-16/h3-8,10-12H,1,9,13H2,2H3,(H,24,26)(H2,22,25,29)/b23-12+
InChIKeyZBGAHSMCSLGHSI-FSJBWODESA-N
XLogP3.35
TPSA83.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.93
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-(3-chlorophenyl)-2-[2-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetamide
CID 7232445
1-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-3-prop-2-enylthiourea
CID 7453812
N'-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide
CID 126174502
1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea
CID 3585337
N'-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide
CID 126181925
2-[4-[(E)-[(2,6-dimethylphenyl)carbamothioylhydrazinylidene]methyl]-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide
CID 6906637
N'-[(E)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide
CID 17202138
N-(3-chlorophenyl)-N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]oxamide
CID 126278758
N'-[(Z)-[3-methoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126166310
2-[2-methoxy-4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 126014913
N'-[(4-butoxy-3-methoxyphenyl)methylideneamino]-N-(3-chlorophenyl)butanediamide
CID 4654054
N-(3-chlorophenyl)-N'-[(Z)-[3-ethoxy-4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126174886

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[2-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[2-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide (CID 110341240) is N-(3-chlorophenyl)-2-[2-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[2-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[2-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide is C=CCNC(=S)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)c(OC)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[2-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide?
The InChIKey is ZBGAHSMCSLGHSI-FSJBWODESA-N. The full InChI is InChI=1S/C20H21ClN4O3S/c1-3-9-22-20(29)25-23-12-14-7-8-17(18(10-14)27-2)28-13-19(26)24-16-6-4-5-15(21)11-16/h3-8,10-12H,1,9,13H2,2H3,(H,24,26)(H2,22,25,29)/b23-12+.
What are the key properties of N-(3-chlorophenyl)-2-[2-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide?
N-(3-chlorophenyl)-2-[2-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide has a molecular weight of 432.93 g/mol, XLogP of 3.35, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[2-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide is sourced from PubChem (CID 110341240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).