2-(4-amino-2-methoxyphenyl)sulfanyl-N-pentan-2-ylpropanamide

C15H24N2O2S — CID 79829742

IUPAC2-(4-amino-2-methoxyphenyl)sulfanyl-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Sc1ccc(N)cc1OC
InChIInChI=1S/C15H24N2O2S/c1-5-6-10(2)17-15(18)11(3)20-14-8-7-12(16)9-13(14)19-4/h7-11H,5-6,16H2,1-4H3,(H,17,18)
InChIKeyASXUZTMNGVCXCM-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.06
Rot. Bonds7

About 2-(4-amino-2-methoxyphenyl)sulfanyl-N-pentan-2-ylpropanamide

2-(4-amino-2-methoxyphenyl)sulfanyl-N-pentan-2-ylpropanamide (PubChem CID 79829742) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-(4-amino-2-methoxyphenyl)sulfanyl-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-(4-amino-2-methoxyphenyl)sulfanyl-N-pentan-2-ylpropanamide
PubChem CID79829742
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-(4-amino-2-methoxyphenyl)sulfanyl-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Sc1ccc(N)cc1OC
InChIInChI=1S/C15H24N2O2S/c1-5-6-10(2)17-15(18)11(3)20-14-8-7-12(16)9-13(14)19-4/h7-11H,5-6,16H2,1-4H3,(H,17,18)
InChIKeyASXUZTMNGVCXCM-UHFFFAOYSA-N
XLogP3.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.06
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

2-(4-amino-2-chlorophenyl)sulfanyl-N-pentan-2-ylpropanamide
CID 43305446
2-(4-amino-2-methoxyphenyl)sulfanylpropanamide
CID 79822587
2-(4-amino-2,6-difluorophenyl)sulfanyl-N-pentan-2-ylpropanamide
CID 61360215
3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylbutanehydrazide
CID 79830633
[2-oxo-2-(pentan-2-ylamino)ethyl] 5-amino-2-methoxybenzoate
CID 61489769
2-(4-amino-2-methoxyphenyl)sulfonyl-N-butan-2-ylpropanamide
CID 81200717
2-(4-amino-2-methylphenyl)sulfanyl-N-propylpropanamide
CID 43303210
5-[1-(4-amino-2-methoxyphenyl)sulfanylethyl]furan-2-carboxylic acid
CID 79829982
2-(4-amino-2-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 79830536
2-(4-amino-2-chlorophenyl)sulfanyl-N-propan-2-ylpropanamide
CID 43305454
N-(4-amino-2-methoxyphenyl)-2-(2-methylpentoxy)propanamide
CID 103282970
3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylpropanamide
CID 79829901

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methoxyphenyl)sulfanyl-N-pentan-2-ylpropanamide?
The IUPAC name of 2-(4-amino-2-methoxyphenyl)sulfanyl-N-pentan-2-ylpropanamide (CID 79829742) is 2-(4-amino-2-methoxyphenyl)sulfanyl-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-(4-amino-2-methoxyphenyl)sulfanyl-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-(4-amino-2-methoxyphenyl)sulfanyl-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)Sc1ccc(N)cc1OC.
What is the InChIKey of 2-(4-amino-2-methoxyphenyl)sulfanyl-N-pentan-2-ylpropanamide?
The InChIKey is ASXUZTMNGVCXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-5-6-10(2)17-15(18)11(3)20-14-8-7-12(16)9-13(14)19-4/h7-11H,5-6,16H2,1-4H3,(H,17,18).
What are the key properties of 2-(4-amino-2-methoxyphenyl)sulfanyl-N-pentan-2-ylpropanamide?
2-(4-amino-2-methoxyphenyl)sulfanyl-N-pentan-2-ylpropanamide has a molecular weight of 296.44 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methoxyphenyl)sulfanyl-N-pentan-2-ylpropanamide is sourced from PubChem (CID 79829742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).