4-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)-3-methoxybutanamide;hydrochloride

C16H27ClN2O2S — CID 120590794

IUPAC4-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)-3-methoxybutanamide;hydrochloride
SMILESCCC(C)Sc1ccc(NC(=O)CC(CN)OC)c(C)c1.Cl
InChIInChI=1S/C16H26N2O2S.ClH/c1-5-12(3)21-14-6-7-15(11(2)8-14)18-16(19)9-13(10-17)20-4;/h6-8,12-13H,5,9-10,17H2,1-4H3,(H,18,19);1H
InChIKeyMWXGBSCTBHZYOP-UHFFFAOYSA-N
MW346.92 g/mol
LogP3.61
Rot. Bonds8

About 4-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)-3-methoxybutanamide;hydrochloride

4-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)-3-methoxybutanamide;hydrochloride (PubChem CID 120590794) has the molecular formula C16H27ClN2O2S and a molecular weight of 346.92 g/mol. Its IUPAC name is 4-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)-3-methoxybutanamide;hydrochloride
PubChem CID120590794
Molecular FormulaC16H27ClN2O2S
Molecular Weight346.92 g/mol
Exact Mass346.15
IUPAC Name4-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)-3-methoxybutanamide;hydrochloride
SMILESCCC(C)Sc1ccc(NC(=O)CC(CN)OC)c(C)c1.Cl
InChIInChI=1S/C16H26N2O2S.ClH/c1-5-12(3)21-14-6-7-15(11(2)8-14)18-16(19)9-13(10-17)20-4;/h6-8,12-13H,5,9-10,17H2,1-4H3,(H,18,19);1H
InChIKeyMWXGBSCTBHZYOP-UHFFFAOYSA-N
XLogP3.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.92
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)butanamide;hydrochloride
CID 119758951
4-amino-3-methoxy-N-(2-methyl-4-phenylsulfanylphenyl)butanamide
CID 120590312
4-amino-3-methoxy-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)butanamide
CID 120591213
4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide
CID 103154240
3-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)benzamide;hydrochloride
CID 119758947
(2R)-N-[4-[(2S)-butan-2-yl]sulfanyl-2-methylphenyl]-2-propan-2-ylsulfonylpropanamide
CID 52510301
N-[4-[(2R)-butan-2-yl]sulfanyl-2-methylphenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 94816368
N-[4-[(2S)-butan-2-yl]sulfanyl-2-methylphenyl]-2-(tetrazol-1-yl)acetamide
CID 94801495
4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxybutanamide;hydrochloride
CID 120586582
2-[(4-butan-2-ylsulfanyl-2-methylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975677
N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-4-carboxamide
CID 119309241
4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
CID 120587425

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)-3-methoxybutanamide;hydrochloride (CID 120590794) is 4-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)-3-methoxybutanamide;hydrochloride is CCC(C)Sc1ccc(NC(=O)CC(CN)OC)c(C)c1.Cl.
What is the InChIKey of 4-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)-3-methoxybutanamide;hydrochloride?
The InChIKey is MWXGBSCTBHZYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S.ClH/c1-5-12(3)21-14-6-7-15(11(2)8-14)18-16(19)9-13(10-17)20-4;/h6-8,12-13H,5,9-10,17H2,1-4H3,(H,18,19);1H.
What are the key properties of 4-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)-3-methoxybutanamide;hydrochloride?
4-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)-3-methoxybutanamide;hydrochloride has a molecular weight of 346.92 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120590794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).