4-(4-methylphenoxy)-N-(1-phenylethylcarbamothioyl)butanamide

C20H24N2O2S — CID 19188578

IUPAC4-(4-methylphenoxy)-N-(1-phenylethylcarbamothioyl)butanamide
SMILESCc1ccc(OCCCC(=O)NC(=S)NC(C)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O2S/c1-15-10-12-18(13-11-15)24-14-6-9-19(23)22-20(25)21-16(2)17-7-4-3-5-8-17/h3-5,7-8,10-13,16H,6,9,14H2,1-2H3,(H2,21,22,23,25)
InChIKeyYXEFFUYGNOZOIR-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.91
Rot. Bonds7

About 4-(4-methylphenoxy)-N-(1-phenylethylcarbamothioyl)butanamide

4-(4-methylphenoxy)-N-(1-phenylethylcarbamothioyl)butanamide (PubChem CID 19188578) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-N-(1-phenylethylcarbamothioyl)butanamide.

Molecular Properties

Compound Name4-(4-methylphenoxy)-N-(1-phenylethylcarbamothioyl)butanamide
PubChem CID19188578
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name4-(4-methylphenoxy)-N-(1-phenylethylcarbamothioyl)butanamide
SMILESCc1ccc(OCCCC(=O)NC(=S)NC(C)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O2S/c1-15-10-12-18(13-11-15)24-14-6-9-19(23)22-20(25)21-16(2)17-7-4-3-5-8-17/h3-5,7-8,10-13,16H,6,9,14H2,1-2H3,(H2,21,22,23,25)
InChIKeyYXEFFUYGNOZOIR-UHFFFAOYSA-N
XLogP3.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-(4-methylphenoxy)-N-(2-methylpropylcarbamothioyl)butanamide
CID 19188516
4-(4-methoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]butanamide
CID 30390615
methyl 2-[4-(4-methylphenoxy)butanoylcarbamothioylamino]benzoate
CID 19188564
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-phenoxybutanamide
CID 94330096
(2R)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[(1R)-1-phenylethyl]propanamide
CID 98700243
3-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethylcarbamothioyl)propanamide
CID 19189100
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(4-methylphenoxy)butanamide
CID 8008912
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-phenoxybutanamide
CID 100521099
1-[(2R)-1-methoxypropan-2-yl]-3-[4-(4-methylphenoxy)butanoylamino]thiourea
CID 9478344
N-[(3,4-dimethylphenyl)carbamothioyl]-4-(4-methylphenoxy)butanamide
CID 19188536
N-[(3-bromophenyl)carbamothioyl]-4-(4-methylphenoxy)butanamide
CID 19188591
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147418

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-N-(1-phenylethylcarbamothioyl)butanamide?
The IUPAC name of 4-(4-methylphenoxy)-N-(1-phenylethylcarbamothioyl)butanamide (CID 19188578) is 4-(4-methylphenoxy)-N-(1-phenylethylcarbamothioyl)butanamide.
What is the SMILES notation for 4-(4-methylphenoxy)-N-(1-phenylethylcarbamothioyl)butanamide?
The canonical SMILES for 4-(4-methylphenoxy)-N-(1-phenylethylcarbamothioyl)butanamide is Cc1ccc(OCCCC(=O)NC(=S)NC(C)c2ccccc2)cc1.
What is the InChIKey of 4-(4-methylphenoxy)-N-(1-phenylethylcarbamothioyl)butanamide?
The InChIKey is YXEFFUYGNOZOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-15-10-12-18(13-11-15)24-14-6-9-19(23)22-20(25)21-16(2)17-7-4-3-5-8-17/h3-5,7-8,10-13,16H,6,9,14H2,1-2H3,(H2,21,22,23,25).
What are the key properties of 4-(4-methylphenoxy)-N-(1-phenylethylcarbamothioyl)butanamide?
4-(4-methylphenoxy)-N-(1-phenylethylcarbamothioyl)butanamide has a molecular weight of 356.49 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-N-(1-phenylethylcarbamothioyl)butanamide is sourced from PubChem (CID 19188578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).