4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride

C12H19ClN2O2S — CID 120587425

IUPAC4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1ccc(SC)cc1.Cl
InChIInChI=1S/C12H18N2O2S.ClH/c1-16-10(8-13)7-12(15)14-9-3-5-11(17-2)6-4-9;/h3-6,10H,7-8,13H2,1-2H3,(H,14,15);1H
InChIKeyCCSVEFNFNHWANU-UHFFFAOYSA-N
MW290.82 g/mol
LogP2.13
Rot. Bonds6

About 4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride

4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride (PubChem CID 120587425) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
PubChem CID120587425
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1ccc(SC)cc1.Cl
InChIInChI=1S/C12H18N2O2S.ClH/c1-16-10(8-13)7-12(15)14-9-3-5-11(17-2)6-4-9;/h3-6,10H,7-8,13H2,1-2H3,(H,14,15);1H
InChIKeyCCSVEFNFNHWANU-UHFFFAOYSA-N
XLogP2.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(4-hydroxyphenyl)-3-methoxybutanamide
CID 103154769
ethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate
CID 103154656
4-amino-N-[4-(difluoromethoxy)phenyl]-3-methoxybutanamide;hydrochloride
CID 120586597
4-amino-3-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]butanamide;hydrochloride
CID 120590715
4-amino-3-methoxy-N-(4-propylphenyl)butanamide
CID 103154337
4-amino-3-methoxy-N-(4-methylsulfonylphenyl)butanamide
CID 103154230
4-amino-3-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide;hydrochloride
CID 120587660
4-amino-N-(4-butan-2-ylphenyl)-3-methoxybutanamide
CID 103154546
4-amino-3-methoxy-N-[4-(triazol-2-yl)phenyl]butanamide;hydrochloride
CID 120589330
4-amino-3-methoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 120587040
4-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methoxybutanamide
CID 103155573
4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxybutanamide;hydrochloride
CID 120586674

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride (CID 120587425) is 4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride is COC(CN)CC(=O)Nc1ccc(SC)cc1.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride?
The InChIKey is CCSVEFNFNHWANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S.ClH/c1-16-10(8-13)7-12(15)14-9-3-5-11(17-2)6-4-9;/h3-6,10H,7-8,13H2,1-2H3,(H,14,15);1H.
What are the key properties of 4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride?
4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride has a molecular weight of 290.82 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride is sourced from PubChem (CID 120587425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).