N-(2-methylpropanethioyl)-2-phenylacetamide

C12H15NOS — CID 134493410

IUPACN-(2-methylpropanethioyl)-2-phenylacetamide
SMILESCC(C)C(=S)NC(=O)Cc1ccccc1
InChIInChI=1S/C12H15NOS/c1-9(2)12(15)13-11(14)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,14,15)
InChIKeyGRRCAGIJLYHILE-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.33
Rot. Bonds3

About N-(2-methylpropanethioyl)-2-phenylacetamide

N-(2-methylpropanethioyl)-2-phenylacetamide (PubChem CID 134493410) has the molecular formula C12H15NOS and a molecular weight of 221.33 g/mol. Its IUPAC name is N-(2-methylpropanethioyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-methylpropanethioyl)-2-phenylacetamide
PubChem CID134493410
Molecular FormulaC12H15NOS
Molecular Weight221.33 g/mol
Exact Mass221.09
IUPAC NameN-(2-methylpropanethioyl)-2-phenylacetamide
SMILESCC(C)C(=S)NC(=O)Cc1ccccc1
InChIInChI=1S/C12H15NOS/c1-9(2)12(15)13-11(14)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,14,15)
InChIKeyGRRCAGIJLYHILE-UHFFFAOYSA-N
XLogP2.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(butan-2-ylcarbamothioyl)-2-phenylacetamide
CID 17137462
N-(tert-butylcarbamothioyl)-2-phenylacetamide;N-(tert-butylcarbamoyl)-2-phenylacetamide
CID 161463574
N-[(2R)-3,3-dimethylbutan-2-yl]-2-phenylacetamide
CID 42561776
(2S,3R)-2-amino-3-hydroxy-N-(2-phenylacetyl)butanamide
CID 174682682
N-(2-phenylethanethioyl)acetamide
CID 130016575
2-phenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide
CID 17151053
2-phenyl-N-[N'-(4-propan-2-ylphenyl)carbamimidoyl]acetamide
CID 135568517
N-[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]-2-phenylacetamide
CID 103705558
N-[(2R)-6-methylheptan-2-yl]-2-phenylacetamide
CID 2423706
N-[2-(2-aminopropylsulfanyl)acetyl]-2-phenylacetamide
CID 66217235
2-methyl-3-[2-oxo-2-[(2-phenylacetyl)amino]ethyl]sulfanylpropanoic acid
CID 64914908
N-(1-cyanopropan-2-yl)-2-phenylacetamide
CID 55211217

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropanethioyl)-2-phenylacetamide?
The IUPAC name of N-(2-methylpropanethioyl)-2-phenylacetamide (CID 134493410) is N-(2-methylpropanethioyl)-2-phenylacetamide.
What is the SMILES notation for N-(2-methylpropanethioyl)-2-phenylacetamide?
The canonical SMILES for N-(2-methylpropanethioyl)-2-phenylacetamide is CC(C)C(=S)NC(=O)Cc1ccccc1.
What is the InChIKey of N-(2-methylpropanethioyl)-2-phenylacetamide?
The InChIKey is GRRCAGIJLYHILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-9(2)12(15)13-11(14)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,14,15).
What are the key properties of N-(2-methylpropanethioyl)-2-phenylacetamide?
N-(2-methylpropanethioyl)-2-phenylacetamide has a molecular weight of 221.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropanethioyl)-2-phenylacetamide is sourced from PubChem (CID 134493410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).