N-[2-(2-methylbutanethioylamino)phenyl]acetamide

C13H18N2OS — CID 170206762

IUPACN-[2-(2-methylbutanethioylamino)phenyl]acetamide
SMILESCCC(C)C(=S)Nc1ccccc1NC(C)=O
InChIInChI=1S/C13H18N2OS/c1-4-9(2)13(17)15-12-8-6-5-7-11(12)14-10(3)16/h5-9H,4H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyRXABZFNOOIYDJM-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.43
Rot. Bonds4

About N-[2-(2-methylbutanethioylamino)phenyl]acetamide

N-[2-(2-methylbutanethioylamino)phenyl]acetamide (PubChem CID 170206762) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-[2-(2-methylbutanethioylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methylbutanethioylamino)phenyl]acetamide
PubChem CID170206762
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-[2-(2-methylbutanethioylamino)phenyl]acetamide
SMILESCCC(C)C(=S)Nc1ccccc1NC(C)=O
InChIInChI=1S/C13H18N2OS/c1-4-9(2)13(17)15-12-8-6-5-7-11(12)14-10(3)16/h5-9H,4H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyRXABZFNOOIYDJM-UHFFFAOYSA-N
XLogP3.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.43
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

N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N-[(2-butan-2-ylphenyl)carbamothioyl]acetamide
CID 2937950
N-(2-acetamidophenyl)propanamide
CID 885895
N-(2-ethylphenyl)-2-methylbutanamide
CID 3140517
N-[2-(methylamino)phenyl]acetamide
CID 22950987
(2S)-2-methyl-N-[2-[[(S)-methylsulfinyl]methyl]phenyl]butanamide
CID 97306982
N-(4-acetamido-3-chlorophenyl)-2-methylbutanamide
CID 18149192
(2S)-N-(4-acetamidophenyl)-2-methylbutanamide
CID 837961
N-[2-(1-chloroethyl)phenyl]-2-methylbutanamide
CID 114304941
N-[4-[(2S)-butan-2-yl]-2-methylphenyl]acetamide
CID 142207659
methoxyethane;N-(2-propan-2-ylphenyl)acetamide
CID 161222349
2-[[(2R)-2-methylbutanoyl]amino]benzoate
CID 6978566

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylbutanethioylamino)phenyl]acetamide?
The IUPAC name of N-[2-(2-methylbutanethioylamino)phenyl]acetamide (CID 170206762) is N-[2-(2-methylbutanethioylamino)phenyl]acetamide.
What is the SMILES notation for N-[2-(2-methylbutanethioylamino)phenyl]acetamide?
The canonical SMILES for N-[2-(2-methylbutanethioylamino)phenyl]acetamide is CCC(C)C(=S)Nc1ccccc1NC(C)=O.
What is the InChIKey of N-[2-(2-methylbutanethioylamino)phenyl]acetamide?
The InChIKey is RXABZFNOOIYDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-4-9(2)13(17)15-12-8-6-5-7-11(12)14-10(3)16/h5-9H,4H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-[2-(2-methylbutanethioylamino)phenyl]acetamide?
N-[2-(2-methylbutanethioylamino)phenyl]acetamide has a molecular weight of 250.37 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylbutanethioylamino)phenyl]acetamide is sourced from PubChem (CID 170206762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).