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

C15H24N2O2S — CID 79518808

IUPAC4-(2-amino-5-methoxyphenyl)sulfanyl-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CCCSc1cc(OC)ccc1N
InChIInChI=1S/C15H24N2O2S/c1-4-17(5-2)15(18)7-6-10-20-14-11-12(19-3)8-9-13(14)16/h8-9,11H,4-7,10,16H2,1-3H3
InChIKeyDUHJRKRYBCOSQU-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.02
Rot. Bonds8

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

4-(2-amino-5-methoxyphenyl)sulfanyl-N,N-diethylbutanamide (PubChem CID 79518808) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-(2-amino-5-methoxyphenyl)sulfanyl-N,N-diethylbutanamide.

Molecular Properties

Compound Name4-(2-amino-5-methoxyphenyl)sulfanyl-N,N-diethylbutanamide
PubChem CID79518808
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name4-(2-amino-5-methoxyphenyl)sulfanyl-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CCCSc1cc(OC)ccc1N
InChIInChI=1S/C15H24N2O2S/c1-4-17(5-2)15(18)7-6-10-20-14-11-12(19-3)8-9-13(14)16/h8-9,11H,4-7,10,16H2,1-3H3
InChIKeyDUHJRKRYBCOSQU-UHFFFAOYSA-N
XLogP3.02
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
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

4-(2-amino-5-methylphenyl)sulfanyl-N,N-diethylbutanamide
CID 79142397
4-(5-amino-2-methylphenyl)sulfanyl-N,N-diethylbutanamide
CID 79141696
6-(2-amino-5-methoxyphenyl)sulfanylhexan-1-ol
CID 107703997
4-methoxy-2-(3-phenylpropylsulfanyl)aniline
CID 79519157
3-(2-amino-5-methoxyphenyl)sulfanyl-N-propan-2-ylpropanamide
CID 79518648
hydrazinyl 3-(2-amino-5-methoxyphenyl)sulfanylpropanoate
CID 79511407
2-(2-amino-5-methoxyphenyl)sulfanyl-N-butan-2-ylacetamide
CID 79518792
2-(2-fluoroethylsulfanyl)-4-methoxyaniline
CID 80693918
4-(2-amino-5-methoxyphenyl)sulfanyl-2-ethylbut-2-enoic acid
CID 79511170
2-(2-amino-5-methoxyphenyl)sulfanyl-N-methylacetamide
CID 79519027
3-(2-amino-5-methoxyphenyl)sulfanyl-2,2-dimethylpropanoic acid
CID 79630325
ethyl 2-(2-amino-5-methoxyphenyl)sulfanylbutanoate
CID 79511079

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-methoxyphenyl)sulfanyl-N,N-diethylbutanamide?
The IUPAC name of 4-(2-amino-5-methoxyphenyl)sulfanyl-N,N-diethylbutanamide (CID 79518808) is 4-(2-amino-5-methoxyphenyl)sulfanyl-N,N-diethylbutanamide.
What is the SMILES notation for 4-(2-amino-5-methoxyphenyl)sulfanyl-N,N-diethylbutanamide?
The canonical SMILES for 4-(2-amino-5-methoxyphenyl)sulfanyl-N,N-diethylbutanamide is CCN(CC)C(=O)CCCSc1cc(OC)ccc1N.
What is the InChIKey of 4-(2-amino-5-methoxyphenyl)sulfanyl-N,N-diethylbutanamide?
The InChIKey is DUHJRKRYBCOSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-17(5-2)15(18)7-6-10-20-14-11-12(19-3)8-9-13(14)16/h8-9,11H,4-7,10,16H2,1-3H3.
What are the key properties of 4-(2-amino-5-methoxyphenyl)sulfanyl-N,N-diethylbutanamide?
4-(2-amino-5-methoxyphenyl)sulfanyl-N,N-diethylbutanamide has a molecular weight of 296.44 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-methoxyphenyl)sulfanyl-N,N-diethylbutanamide is sourced from PubChem (CID 79518808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).