N-(4-amino-2-methoxyphenyl)-4-propan-2-ylsulfanylbutanamide

C14H22N2O2S — CID 60886583

IUPACN-(4-amino-2-methoxyphenyl)-4-propan-2-ylsulfanylbutanamide
SMILESCOc1cc(N)ccc1NC(=O)CCCSC(C)C
InChIInChI=1S/C14H22N2O2S/c1-10(2)19-8-4-5-14(17)16-12-7-6-11(15)9-13(12)18-3/h6-7,9-10H,4-5,8,15H2,1-3H3,(H,16,17)
InChIKeyWOVJEQOEDLLFSF-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.14
Rot. Bonds7

About N-(4-amino-2-methoxyphenyl)-4-propan-2-ylsulfanylbutanamide

N-(4-amino-2-methoxyphenyl)-4-propan-2-ylsulfanylbutanamide (PubChem CID 60886583) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-4-propan-2-ylsulfanylbutanamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-4-propan-2-ylsulfanylbutanamide
PubChem CID60886583
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(4-amino-2-methoxyphenyl)-4-propan-2-ylsulfanylbutanamide
SMILESCOc1cc(N)ccc1NC(=O)CCCSC(C)C
InChIInChI=1S/C14H22N2O2S/c1-10(2)19-8-4-5-14(17)16-12-7-6-11(15)9-13(12)18-3/h6-7,9-10H,4-5,8,15H2,1-3H3,(H,16,17)
InChIKeyWOVJEQOEDLLFSF-UHFFFAOYSA-N
XLogP3.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methoxyphenyl)-4-(2-methylpropylsulfanyl)butanamide
CID 28982174
N-(4-amino-2-methoxyphenyl)nonanamide
CID 65447968
N-(4-amino-2-methylphenyl)-4-propan-2-ylsulfanylbutanamide
CID 60884711
N-(4-amino-2-methoxyphenyl)-4-(3-hydroxy-2-methylpropyl)sulfanylbutanamide
CID 66103319
N-(4-amino-2-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272523
N-(4-amino-2-methoxyphenyl)-2-pentylsulfanylacetamide
CID 107748558
ethyl 2-[3-(4-amino-2-methoxyanilino)-3-oxopropyl]sulfanylacetate
CID 43618313
N-(4-amino-2-methoxyphenyl)-4-[2-methoxyethyl(methyl)amino]butanamide
CID 61427454
N-(4-amino-2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 28995288
N-(4-amino-2-methoxyphenyl)-3-[methyl(2-methylbutyl)amino]propanamide
CID 43295359
N-(4-amino-2-methoxyphenyl)-3-(oxan-4-ylsulfanyl)propanamide
CID 62996070
N-(4-amino-2-methoxyphenyl)-3-propylsulfinylpropanamide
CID 61304446

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-4-propan-2-ylsulfanylbutanamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-4-propan-2-ylsulfanylbutanamide (CID 60886583) is N-(4-amino-2-methoxyphenyl)-4-propan-2-ylsulfanylbutanamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-4-propan-2-ylsulfanylbutanamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-4-propan-2-ylsulfanylbutanamide is COc1cc(N)ccc1NC(=O)CCCSC(C)C.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-4-propan-2-ylsulfanylbutanamide?
The InChIKey is WOVJEQOEDLLFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10(2)19-8-4-5-14(17)16-12-7-6-11(15)9-13(12)18-3/h6-7,9-10H,4-5,8,15H2,1-3H3,(H,16,17).
What are the key properties of N-(4-amino-2-methoxyphenyl)-4-propan-2-ylsulfanylbutanamide?
N-(4-amino-2-methoxyphenyl)-4-propan-2-ylsulfanylbutanamide has a molecular weight of 282.41 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-4-propan-2-ylsulfanylbutanamide is sourced from PubChem (CID 60886583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).