2-(4-carbamothioylphenyl)-N-(1-phenylethyl)acetamide

C17H18N2OS — CID 63589427

IUPAC2-(4-carbamothioylphenyl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cc1ccc(C(N)=S)cc1)c1ccccc1
InChIInChI=1S/C17H18N2OS/c1-12(14-5-3-2-4-6-14)19-16(20)11-13-7-9-15(10-8-13)17(18)21/h2-10,12H,11H2,1H3,(H2,18,21)(H,19,20)
InChIKeySJWSTPUOJBFOJY-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.74
Rot. Bonds5

About 2-(4-carbamothioylphenyl)-N-(1-phenylethyl)acetamide

2-(4-carbamothioylphenyl)-N-(1-phenylethyl)acetamide (PubChem CID 63589427) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-(4-carbamothioylphenyl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-carbamothioylphenyl)-N-(1-phenylethyl)acetamide
PubChem CID63589427
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name2-(4-carbamothioylphenyl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cc1ccc(C(N)=S)cc1)c1ccccc1
InChIInChI=1S/C17H18N2OS/c1-12(14-5-3-2-4-6-14)19-16(20)11-13-7-9-15(10-8-13)17(18)21/h2-10,12H,11H2,1H3,(H2,18,21)(H,19,20)
InChIKeySJWSTPUOJBFOJY-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-carbamothioylphenyl)-N-(1-pyridin-4-ylethyl)acetamide
CID 63590706
2-[4-(aminomethyl)phenyl]-N-[(1R)-1-phenylethyl]acetamide
CID 107863936
2-[4-(2-methylpropyl)phenyl]-N-(1-phenylethyl)acetamide
CID 86249193
N-[1-(4-ethylphenyl)ethyl]-2-phenylacetamide
CID 2854113
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
2-(4-carbamothioylphenyl)-N-(3-methylpentan-2-yl)acetamide
CID 63590173
2-(4-carbamothioylphenyl)-N-(1-methylsulfonylpropan-2-yl)acetamide
CID 64643986
2-(4-nitrophenyl)-N-(1-phenylethyl)acetamide
CID 2726136
2-(3,4-dihydroxyphenyl)-N-(1-phenylethyl)acetamide
CID 113199018
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
2-amino-N-(1-phenylethyl)acetamide
CID 10631169
3-amino-N-(1-phenylethyl)propanamide
CID 16784228

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioylphenyl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(4-carbamothioylphenyl)-N-(1-phenylethyl)acetamide (CID 63589427) is 2-(4-carbamothioylphenyl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-carbamothioylphenyl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(4-carbamothioylphenyl)-N-(1-phenylethyl)acetamide is CC(NC(=O)Cc1ccc(C(N)=S)cc1)c1ccccc1.
What is the InChIKey of 2-(4-carbamothioylphenyl)-N-(1-phenylethyl)acetamide?
The InChIKey is SJWSTPUOJBFOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-12(14-5-3-2-4-6-14)19-16(20)11-13-7-9-15(10-8-13)17(18)21/h2-10,12H,11H2,1H3,(H2,18,21)(H,19,20).
What are the key properties of 2-(4-carbamothioylphenyl)-N-(1-phenylethyl)acetamide?
2-(4-carbamothioylphenyl)-N-(1-phenylethyl)acetamide has a molecular weight of 298.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioylphenyl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 63589427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).