N-[4-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethoxy]phenyl]acetamide

C17H18N4O3S — CID 3073648

IUPACN-[4-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)NNC(=S)Nc2ccccc2)cc1
InChIInChI=1S/C17H18N4O3S/c1-12(22)18-14-7-9-15(10-8-14)24-11-16(23)20-21-17(25)19-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,22)(H,20,23)(H2,19,21,25)
InChIKeyHXYFMYUMYLMHDV-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.04
Rot. Bonds5

About N-[4-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethoxy]phenyl]acetamide

N-[4-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethoxy]phenyl]acetamide (PubChem CID 3073648) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[4-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethoxy]phenyl]acetamide
PubChem CID3073648
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-[4-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)NNC(=S)Nc2ccccc2)cc1
InChIInChI=1S/C17H18N4O3S/c1-12(22)18-14-7-9-15(10-8-14)24-11-16(23)20-21-17(25)19-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,22)(H,20,23)(H2,19,21,25)
InChIKeyHXYFMYUMYLMHDV-UHFFFAOYSA-N
XLogP2.04
TPSA91.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-3-[(2-phenoxyacetyl)amino]thiourea
CID 730484
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
1-(4-fluorophenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]thiourea
CID 968555
2-(4-acetamidophenoxy)-N-(4-phenoxyphenyl)acetamide
CID 2471722
1-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]-3-phenylthiourea
CID 3303473
1-[[2-(3-chlorophenoxy)acetyl]amino]-3-phenylthiourea
CID 972409
1-[[2-(4-ethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)thiourea
CID 3659337
1-(4-ethylphenyl)-3-[[2-(4-methoxyphenoxy)acetyl]amino]thiourea
CID 7988129
N-[(4-acetamidophenyl)carbamothioyl]-2-(4-bromophenoxy)acetamide
CID 1016462
1-(4-ethoxyphenyl)-3-[[3-[2-[(4-ethoxyphenyl)carbamothioyl]hydrazinyl]-3-oxopropanoyl]amino]thiourea
CID 2831126
1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-(4-chlorophenyl)thiourea
CID 8626127

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethoxy]phenyl]acetamide?
The IUPAC name of N-[4-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethoxy]phenyl]acetamide (CID 3073648) is N-[4-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCC(=O)NNC(=S)Nc2ccccc2)cc1.
What is the InChIKey of N-[4-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethoxy]phenyl]acetamide?
The InChIKey is HXYFMYUMYLMHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-12(22)18-14-7-9-15(10-8-14)24-11-16(23)20-21-17(25)19-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,22)(H,20,23)(H2,19,21,25).
What are the key properties of N-[4-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethoxy]phenyl]acetamide?
N-[4-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethoxy]phenyl]acetamide has a molecular weight of 358.42 g/mol, XLogP of 2.04, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethoxy]phenyl]acetamide is sourced from PubChem (CID 3073648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).