2-(4-methoxyphenyl)-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]acetamide

C24H24N2O4S — CID 17131022

IUPAC2-(4-methoxyphenyl)-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]acetamide
SMILESCOc1ccc(CC(=O)NC(=S)Nc2ccccc2OCCOc2ccccc2)cc1
InChIInChI=1S/C24H24N2O4S/c1-28-19-13-11-18(12-14-19)17-23(27)26-24(31)25-21-9-5-6-10-22(21)30-16-15-29-20-7-3-2-4-8-20/h2-14H,15-17H2,1H3,(H2,25,26,27,31)
InChIKeyGBXVYADNNBULCE-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.21
Rot. Bonds9

About 2-(4-methoxyphenyl)-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]acetamide

2-(4-methoxyphenyl)-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]acetamide (PubChem CID 17131022) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]acetamide
PubChem CID17131022
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name2-(4-methoxyphenyl)-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]acetamide
SMILESCOc1ccc(CC(=O)NC(=S)Nc2ccccc2OCCOc2ccccc2)cc1
InChIInChI=1S/C24H24N2O4S/c1-28-19-13-11-18(12-14-19)17-23(27)26-24(31)25-21-9-5-6-10-22(21)30-16-15-29-20-7-3-2-4-8-20/h2-14H,15-17H2,1H3,(H2,25,26,27,31)
InChIKeyGBXVYADNNBULCE-UHFFFAOYSA-N
XLogP4.21
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)carbamothioyl]acetamide
CID 17098246
N-[(2-butoxyphenyl)carbamothioyl]-4-phenoxybutanamide
CID 19188363
N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17131025
N-[(2-methoxyphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953061
2-(4-methoxyphenyl)-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide
CID 17142296
N-[(2-ethoxyphenyl)carbamothioyl]-4-phenoxybutanamide
CID 19188354
2-butoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17131066
2-(2-methoxyphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130870
2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide
CID 889519
2-ethoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17131059
4-hexoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17131060
4-(2-methoxyethoxy)-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide
CID 17131623

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]acetamide (CID 17131022) is 2-(4-methoxyphenyl)-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]acetamide is COc1ccc(CC(=O)NC(=S)Nc2ccccc2OCCOc2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]acetamide?
The InChIKey is GBXVYADNNBULCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-28-19-13-11-18(12-14-19)17-23(27)26-24(31)25-21-9-5-6-10-22(21)30-16-15-29-20-7-3-2-4-8-20/h2-14H,15-17H2,1H3,(H2,25,26,27,31).
What are the key properties of 2-(4-methoxyphenyl)-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]acetamide?
2-(4-methoxyphenyl)-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]acetamide has a molecular weight of 436.53 g/mol, XLogP of 4.21, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]acetamide is sourced from PubChem (CID 17131022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).