N-(4-amino-2-methoxyphenyl)-4-(2-methylpropylsulfanyl)butanamide

C15H24N2O2S — CID 28982174

IUPACN-(4-amino-2-methoxyphenyl)-4-(2-methylpropylsulfanyl)butanamide
SMILESCOc1cc(N)ccc1NC(=O)CCCSCC(C)C
InChIInChI=1S/C15H24N2O2S/c1-11(2)10-20-8-4-5-15(18)17-13-7-6-12(16)9-14(13)19-3/h6-7,9,11H,4-5,8,10,16H2,1-3H3,(H,17,18)
InChIKeyDXNFJRZTNULSAU-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.39
Rot. Bonds8

About N-(4-amino-2-methoxyphenyl)-4-(2-methylpropylsulfanyl)butanamide

N-(4-amino-2-methoxyphenyl)-4-(2-methylpropylsulfanyl)butanamide (PubChem CID 28982174) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-4-(2-methylpropylsulfanyl)butanamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-4-(2-methylpropylsulfanyl)butanamide
PubChem CID28982174
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-(4-amino-2-methoxyphenyl)-4-(2-methylpropylsulfanyl)butanamide
SMILESCOc1cc(N)ccc1NC(=O)CCCSCC(C)C
InChIInChI=1S/C15H24N2O2S/c1-11(2)10-20-8-4-5-15(18)17-13-7-6-12(16)9-14(13)19-3/h6-7,9,11H,4-5,8,10,16H2,1-3H3,(H,17,18)
InChIKeyDXNFJRZTNULSAU-UHFFFAOYSA-N
XLogP3.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.39
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-(3-hydroxy-2-methylpropyl)sulfanylbutanamide
CID 66103319
N-(4-amino-2-methoxyphenyl)-4-propan-2-ylsulfanylbutanamide
CID 60886583
N-(4-amino-2-methoxyphenyl)nonanamide
CID 65447968
N-(4-amino-2-methoxyphenyl)-2-pentylsulfanylacetamide
CID 107748558
N-(4-amino-2-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272523
ethyl 2-[3-(4-amino-2-methoxyanilino)-3-oxopropyl]sulfanylacetate
CID 43618313
N-(2-amino-4-fluorophenyl)-4-(2-methylpropylsulfanyl)butanamide
CID 28982231
N-(5-amino-2-methoxyphenyl)-4-(2-hydroxyethylsulfanyl)butanamide
CID 43617487
N-(5-amino-2-methoxyphenyl)-4-(2-methoxyethylsulfanyl)butanamide
CID 43446037
methyl 2-[4-(5-amino-2-methoxyanilino)-4-oxobutyl]sulfanylacetate
CID 43618014
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

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-4-(2-methylpropylsulfanyl)butanamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-4-(2-methylpropylsulfanyl)butanamide (CID 28982174) is N-(4-amino-2-methoxyphenyl)-4-(2-methylpropylsulfanyl)butanamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-4-(2-methylpropylsulfanyl)butanamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-4-(2-methylpropylsulfanyl)butanamide is COc1cc(N)ccc1NC(=O)CCCSCC(C)C.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-4-(2-methylpropylsulfanyl)butanamide?
The InChIKey is DXNFJRZTNULSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11(2)10-20-8-4-5-15(18)17-13-7-6-12(16)9-14(13)19-3/h6-7,9,11H,4-5,8,10,16H2,1-3H3,(H,17,18).
What are the key properties of N-(4-amino-2-methoxyphenyl)-4-(2-methylpropylsulfanyl)butanamide?
N-(4-amino-2-methoxyphenyl)-4-(2-methylpropylsulfanyl)butanamide has a molecular weight of 296.44 g/mol, XLogP of 3.39, 8 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-(2-methylpropylsulfanyl)butanamide is sourced from PubChem (CID 28982174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).