N-(2-amino-5-methoxyphenyl)-2-tert-butylsulfanylacetamide

C13H20N2O2S — CID 63257845

IUPACN-(2-amino-5-methoxyphenyl)-2-tert-butylsulfanylacetamide
SMILESCOc1ccc(N)c(NC(=O)CSC(C)(C)C)c1
InChIInChI=1S/C13H20N2O2S/c1-13(2,3)18-8-12(16)15-11-7-9(17-4)5-6-10(11)14/h5-7H,8,14H2,1-4H3,(H,15,16)
InChIKeyDBMYHYGIINAQPR-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.75
Rot. Bonds4

About N-(2-amino-5-methoxyphenyl)-2-tert-butylsulfanylacetamide

N-(2-amino-5-methoxyphenyl)-2-tert-butylsulfanylacetamide (PubChem CID 63257845) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-2-tert-butylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-2-tert-butylsulfanylacetamide
PubChem CID63257845
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-(2-amino-5-methoxyphenyl)-2-tert-butylsulfanylacetamide
SMILESCOc1ccc(N)c(NC(=O)CSC(C)(C)C)c1
InChIInChI=1S/C13H20N2O2S/c1-13(2,3)18-8-12(16)15-11-7-9(17-4)5-6-10(11)14/h5-7H,8,14H2,1-4H3,(H,15,16)
InChIKeyDBMYHYGIINAQPR-UHFFFAOYSA-N
XLogP2.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 63257795
N-(2-amino-5-methoxyphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 119421736
N-(2-amino-5-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide;hydrochloride
CID 119421357
N-(2-amino-5-methoxyphenyl)-2-(3-hydroxyphenyl)acetamide
CID 63257743
N-(2-amino-5-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 119421073
N-(2-amino-5-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 63257950
1-(2-amino-5-methoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 113463029
N-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119420848
N-(2-amino-5-methoxyphenyl)-2-(3-bromophenyl)acetamide
CID 63257871
N-(2-amino-5-methoxyphenyl)-2-(diethylsulfamoyl)acetamide;hydrochloride
CID 119421823
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
N-(2-amino-5-methoxyphenyl)-4-methyl-3-phenylpentanamide
CID 119420670

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-2-tert-butylsulfanylacetamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-2-tert-butylsulfanylacetamide (CID 63257845) is N-(2-amino-5-methoxyphenyl)-2-tert-butylsulfanylacetamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-2-tert-butylsulfanylacetamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-2-tert-butylsulfanylacetamide is COc1ccc(N)c(NC(=O)CSC(C)(C)C)c1.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-2-tert-butylsulfanylacetamide?
The InChIKey is DBMYHYGIINAQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-13(2,3)18-8-12(16)15-11-7-9(17-4)5-6-10(11)14/h5-7H,8,14H2,1-4H3,(H,15,16).
What are the key properties of N-(2-amino-5-methoxyphenyl)-2-tert-butylsulfanylacetamide?
N-(2-amino-5-methoxyphenyl)-2-tert-butylsulfanylacetamide has a molecular weight of 268.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-2-tert-butylsulfanylacetamide is sourced from PubChem (CID 63257845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).