2-(2-amino-3-methylphenyl)sulfanyl-N-(tert-butylcarbamoyl)acetamide

C14H21N3O2S — CID 79146926

IUPAC2-(2-amino-3-methylphenyl)sulfanyl-N-(tert-butylcarbamoyl)acetamide
SMILESCc1cccc(SCC(=O)NC(=O)NC(C)(C)C)c1N
InChIInChI=1S/C14H21N3O2S/c1-9-6-5-7-10(12(9)15)20-8-11(18)16-13(19)17-14(2,3)4/h5-7H,8,15H2,1-4H3,(H2,16,17,18,19)
InChIKeyFZJGLNBBZUMOHK-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.29
Rot. Bonds3

About 2-(2-amino-3-methylphenyl)sulfanyl-N-(tert-butylcarbamoyl)acetamide

2-(2-amino-3-methylphenyl)sulfanyl-N-(tert-butylcarbamoyl)acetamide (PubChem CID 79146926) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-(2-amino-3-methylphenyl)sulfanyl-N-(tert-butylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-3-methylphenyl)sulfanyl-N-(tert-butylcarbamoyl)acetamide
PubChem CID79146926
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name2-(2-amino-3-methylphenyl)sulfanyl-N-(tert-butylcarbamoyl)acetamide
SMILESCc1cccc(SCC(=O)NC(=O)NC(C)(C)C)c1N
InChIInChI=1S/C14H21N3O2S/c1-9-6-5-7-10(12(9)15)20-8-11(18)16-13(19)17-14(2,3)4/h5-7H,8,15H2,1-4H3,(H2,16,17,18,19)
InChIKeyFZJGLNBBZUMOHK-UHFFFAOYSA-N
XLogP2.29
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(tert-butylcarbamoyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 5223865
2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 79147255
2-(2-amino-3-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
CID 79130947
2-(2-amino-3-methylphenyl)sulfanyl-N-prop-2-ynylacetamide
CID 79147339
2-(2-amino-3-methylphenyl)sulfanyl-N-(cyanomethyl)acetamide
CID 79146657
tert-butyl 2-(2-amino-3-methylphenyl)sulfanylacetate
CID 79147155
N-(tert-butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide
CID 104590387
2-(2-amino-3-methylphenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 79129764
2-(2-amino-3-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 79131216
N-(tert-butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 5155672
2-(2-amino-3-methylphenyl)sulfanyl-N-(2-iodophenyl)acetamide
CID 79147398
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide
CID 43302063

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methylphenyl)sulfanyl-N-(tert-butylcarbamoyl)acetamide?
The IUPAC name of 2-(2-amino-3-methylphenyl)sulfanyl-N-(tert-butylcarbamoyl)acetamide (CID 79146926) is 2-(2-amino-3-methylphenyl)sulfanyl-N-(tert-butylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-amino-3-methylphenyl)sulfanyl-N-(tert-butylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-amino-3-methylphenyl)sulfanyl-N-(tert-butylcarbamoyl)acetamide is Cc1cccc(SCC(=O)NC(=O)NC(C)(C)C)c1N.
What is the InChIKey of 2-(2-amino-3-methylphenyl)sulfanyl-N-(tert-butylcarbamoyl)acetamide?
The InChIKey is FZJGLNBBZUMOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-9-6-5-7-10(12(9)15)20-8-11(18)16-13(19)17-14(2,3)4/h5-7H,8,15H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 2-(2-amino-3-methylphenyl)sulfanyl-N-(tert-butylcarbamoyl)acetamide?
2-(2-amino-3-methylphenyl)sulfanyl-N-(tert-butylcarbamoyl)acetamide has a molecular weight of 295.41 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methylphenyl)sulfanyl-N-(tert-butylcarbamoyl)acetamide is sourced from PubChem (CID 79146926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).