4-(2-amino-5-methylphenyl)sulfanyl-N,N-diethylbutanamide

C15H24N2OS — CID 79142397

IUPAC4-(2-amino-5-methylphenyl)sulfanyl-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CCCSc1cc(C)ccc1N
InChIInChI=1S/C15H24N2OS/c1-4-17(5-2)15(18)7-6-10-19-14-11-12(3)8-9-13(14)16/h8-9,11H,4-7,10,16H2,1-3H3
InChIKeyQZFNUCGEJLJHQI-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.32
Rot. Bonds7

About 4-(2-amino-5-methylphenyl)sulfanyl-N,N-diethylbutanamide

4-(2-amino-5-methylphenyl)sulfanyl-N,N-diethylbutanamide (PubChem CID 79142397) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 4-(2-amino-5-methylphenyl)sulfanyl-N,N-diethylbutanamide.

Molecular Properties

Compound Name4-(2-amino-5-methylphenyl)sulfanyl-N,N-diethylbutanamide
PubChem CID79142397
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name4-(2-amino-5-methylphenyl)sulfanyl-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CCCSc1cc(C)ccc1N
InChIInChI=1S/C15H24N2OS/c1-4-17(5-2)15(18)7-6-10-19-14-11-12(3)8-9-13(14)16/h8-9,11H,4-7,10,16H2,1-3H3
InChIKeyQZFNUCGEJLJHQI-UHFFFAOYSA-N
XLogP3.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-(2-amino-5-methoxyphenyl)sulfanyl-N,N-diethylbutanamide
CID 79518808
4-(5-amino-2-methylphenyl)sulfanyl-N,N-diethylbutanamide
CID 79141696
2-(3-ethylsulfonylpropylsulfanyl)-4-methylaniline
CID 79142395
2-(3-methoxypropylsulfanyl)-4-methylaniline
CID 79142732
N-[2-(2-amino-5-methylphenyl)sulfanylethyl]acetamide
CID 79142236
2-(2-amino-5-methylphenyl)sulfanylacetamide
CID 79142056
ethyl 3-(2-amino-5-fluorophenyl)sulfanylpropanoate
CID 79147797
N,N-diethyl-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanamide
CID 7818217
ethyl 5-(2-aminophenyl)sulfanylpentanoate
CID 139687059
2-(2-amino-5-methylphenyl)sulfanyl-N-ethylacetamide
CID 79142549
4-[4-(diethylamino)-4-oxobutyl]sulfanylbenzoic acid
CID 43169843
3-(2-amino-5-fluorophenyl)sulfanyl-N,N-dimethylpropanamide
CID 79147838

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-methylphenyl)sulfanyl-N,N-diethylbutanamide?
The IUPAC name of 4-(2-amino-5-methylphenyl)sulfanyl-N,N-diethylbutanamide (CID 79142397) is 4-(2-amino-5-methylphenyl)sulfanyl-N,N-diethylbutanamide.
What is the SMILES notation for 4-(2-amino-5-methylphenyl)sulfanyl-N,N-diethylbutanamide?
The canonical SMILES for 4-(2-amino-5-methylphenyl)sulfanyl-N,N-diethylbutanamide is CCN(CC)C(=O)CCCSc1cc(C)ccc1N.
What is the InChIKey of 4-(2-amino-5-methylphenyl)sulfanyl-N,N-diethylbutanamide?
The InChIKey is QZFNUCGEJLJHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-4-17(5-2)15(18)7-6-10-19-14-11-12(3)8-9-13(14)16/h8-9,11H,4-7,10,16H2,1-3H3.
What are the key properties of 4-(2-amino-5-methylphenyl)sulfanyl-N,N-diethylbutanamide?
4-(2-amino-5-methylphenyl)sulfanyl-N,N-diethylbutanamide has a molecular weight of 280.44 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-methylphenyl)sulfanyl-N,N-diethylbutanamide is sourced from PubChem (CID 79142397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).