N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)acetamide

C14H22N2O2S — CID 107748768

IUPACN-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)acetamide
SMILESCOc1ccc(N)cc1NC(=O)CSC(C)C(C)C
InChIInChI=1S/C14H22N2O2S/c1-9(2)10(3)19-8-14(17)16-12-7-11(15)5-6-13(12)18-4/h5-7,9-10H,8,15H2,1-4H3,(H,16,17)
InChIKeyNRFYCRQVDAGASB-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.99
Rot. Bonds6

About N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)acetamide

N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)acetamide (PubChem CID 107748768) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)acetamide
PubChem CID107748768
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)acetamide
SMILESCOc1ccc(N)cc1NC(=O)CSC(C)C(C)C
InChIInChI=1S/C14H22N2O2S/c1-9(2)10(3)19-8-14(17)16-12-7-11(15)5-6-13(12)18-4/h5-7,9-10H,8,15H2,1-4H3,(H,16,17)
InChIKeyNRFYCRQVDAGASB-UHFFFAOYSA-N
XLogP2.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.99
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-(4-amino-2-bromophenyl)-2-(3-methylbutan-2-ylsulfanyl)acetamide
CID 107748731
N-(5-amino-2-methoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 29268840
N-(5-chloro-2-methoxyphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 103705878
N-(5-amino-2-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60884523
N-(5-amino-2-methoxyphenyl)-2-methylpropanamide
CID 16772178
N-(5-amino-2-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 43198896
N-(5-amino-2-methoxyphenyl)-2-(2-methylbutylsulfinyl)acetamide
CID 107753805
N-(5-amino-2-methoxyphenyl)-4,4-dimethyl-3-oxopentanamide
CID 15475907
methyl 2-[4-(5-amino-2-methoxyanilino)-4-oxobutyl]sulfanylacetate
CID 43618014
N-(5-amino-2-methoxyphenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16785339
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-3-methylbutanoic acid
CID 105354217
N-(5-amino-2-methoxyphenyl)-2-[propan-2-yl(propyl)amino]acetamide
CID 43269237

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)acetamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)acetamide (CID 107748768) is N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)acetamide is COc1ccc(N)cc1NC(=O)CSC(C)C(C)C.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)acetamide?
The InChIKey is NRFYCRQVDAGASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-9(2)10(3)19-8-14(17)16-12-7-11(15)5-6-13(12)18-4/h5-7,9-10H,8,15H2,1-4H3,(H,16,17).
What are the key properties of N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)acetamide?
N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)acetamide has a molecular weight of 282.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)acetamide is sourced from PubChem (CID 107748768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).