4-amino-3-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide;hydrochloride

C15H21ClN4O2S — CID 120587660

IUPAC4-amino-3-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1ccc(Sc2nccn2C)cc1.Cl
InChIInChI=1S/C15H20N4O2S.ClH/c1-19-8-7-17-15(19)22-13-5-3-11(4-6-13)18-14(20)9-12(10-16)21-2;/h3-8,12H,9-10,16H2,1-2H3,(H,18,20);1H
InChIKeyNLGWCRGMUUIVTG-UHFFFAOYSA-N
MW356.88 g/mol
LogP2.30
Rot. Bonds7

About 4-amino-3-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide;hydrochloride

4-amino-3-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide;hydrochloride (PubChem CID 120587660) has the molecular formula C15H21ClN4O2S and a molecular weight of 356.88 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide;hydrochloride
PubChem CID120587660
Molecular FormulaC15H21ClN4O2S
Molecular Weight356.88 g/mol
Exact Mass356.11
IUPAC Name4-amino-3-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1ccc(Sc2nccn2C)cc1.Cl
InChIInChI=1S/C15H20N4O2S.ClH/c1-19-8-7-17-15(19)22-13-5-3-11(4-6-13)18-14(20)9-12(10-16)21-2;/h3-8,12H,9-10,16H2,1-2H3,(H,18,20);1H
InChIKeyNLGWCRGMUUIVTG-UHFFFAOYSA-N
XLogP2.30
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide
CID 47138421
4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
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2-amino-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide;hydrochloride
CID 119276286
2-(cyclopropylmethylamino)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide
CID 119699001
4-amino-3-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]butanamide;hydrochloride
CID 120590715
4-amino-3-methoxy-N-[4-(triazol-2-yl)phenyl]butanamide;hydrochloride
CID 120589330
4-amino-3-methoxy-N-(4-pyrazol-1-ylphenyl)butanamide;hydrochloride
CID 120587813
2-(2-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide
CID 51297425
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 55497406
4-amino-N-(4-hydroxyphenyl)-3-methoxybutanamide
CID 103154769
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(trifluoromethoxy)benzamide
CID 55490455
4-amino-3-methoxy-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide;hydrochloride
CID 120590996

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide;hydrochloride (CID 120587660) is 4-amino-3-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide;hydrochloride is COC(CN)CC(=O)Nc1ccc(Sc2nccn2C)cc1.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide;hydrochloride?
The InChIKey is NLGWCRGMUUIVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S.ClH/c1-19-8-7-17-15(19)22-13-5-3-11(4-6-13)18-14(20)9-12(10-16)21-2;/h3-8,12H,9-10,16H2,1-2H3,(H,18,20);1H.
What are the key properties of 4-amino-3-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide;hydrochloride?
4-amino-3-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide;hydrochloride has a molecular weight of 356.88 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide;hydrochloride is sourced from PubChem (CID 120587660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).