3-amino-N-(4-ethyl-3-sulfamoylphenyl)propanamide;hydrochloride

C11H18ClN3O3S — CID 119307317

IUPAC3-amino-N-(4-ethyl-3-sulfamoylphenyl)propanamide;hydrochloride
SMILESCCc1ccc(NC(=O)CCN)cc1S(N)(=O)=O.Cl
InChIInChI=1S/C11H17N3O3S.ClH/c1-2-8-3-4-9(14-11(15)5-6-12)7-10(8)18(13,16)17;/h3-4,7H,2,5-6,12H2,1H3,(H,14,15)(H2,13,16,17);1H
InChIKeyYEKJIJPYHJSCIY-UHFFFAOYSA-N
MW307.80 g/mol
LogP0.61
Rot. Bonds5

About 3-amino-N-(4-ethyl-3-sulfamoylphenyl)propanamide;hydrochloride

3-amino-N-(4-ethyl-3-sulfamoylphenyl)propanamide;hydrochloride (PubChem CID 119307317) has the molecular formula C11H18ClN3O3S and a molecular weight of 307.80 g/mol. Its IUPAC name is 3-amino-N-(4-ethyl-3-sulfamoylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(4-ethyl-3-sulfamoylphenyl)propanamide;hydrochloride
PubChem CID119307317
Molecular FormulaC11H18ClN3O3S
Molecular Weight307.80 g/mol
Exact Mass307.08
IUPAC Name3-amino-N-(4-ethyl-3-sulfamoylphenyl)propanamide;hydrochloride
SMILESCCc1ccc(NC(=O)CCN)cc1S(N)(=O)=O.Cl
InChIInChI=1S/C11H17N3O3S.ClH/c1-2-8-3-4-9(14-11(15)5-6-12)7-10(8)18(13,16)17;/h3-4,7H,2,5-6,12H2,1H3,(H,14,15)(H2,13,16,17);1H
InChIKeyYEKJIJPYHJSCIY-UHFFFAOYSA-N
XLogP0.61
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(4-ethyl-3-sulfamoylphenyl)cyclopropane-1-carboxamide;hydrochloride
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3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
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N-(4-methyl-3-sulfamoylphenyl)-3-propoxypropanamide
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2-[(1S)-cyclopent-2-en-1-yl]-N-(4-ethyl-3-sulfamoylphenyl)acetamide
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3-amino-N-(4-sulfamoylphenyl)propanamide
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3-(4-ethylphenyl)-N-(4-methyl-3-sulfamoylphenyl)propanamide
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N-[3-(3-aminopropanoylamino)-4-ethylphenyl]-2,2-dimethylpropanamide
CID 82034526
4-[(4-ethyl-3-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
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N-(4-ethyl-3-sulfamoylphenyl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
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3-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-sulfamoylphenyl)propanamide
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3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride
CID 75530834

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-ethyl-3-sulfamoylphenyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-(4-ethyl-3-sulfamoylphenyl)propanamide;hydrochloride (CID 119307317) is 3-amino-N-(4-ethyl-3-sulfamoylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(4-ethyl-3-sulfamoylphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(4-ethyl-3-sulfamoylphenyl)propanamide;hydrochloride is CCc1ccc(NC(=O)CCN)cc1S(N)(=O)=O.Cl.
What is the InChIKey of 3-amino-N-(4-ethyl-3-sulfamoylphenyl)propanamide;hydrochloride?
The InChIKey is YEKJIJPYHJSCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S.ClH/c1-2-8-3-4-9(14-11(15)5-6-12)7-10(8)18(13,16)17;/h3-4,7H,2,5-6,12H2,1H3,(H,14,15)(H2,13,16,17);1H.
What are the key properties of 3-amino-N-(4-ethyl-3-sulfamoylphenyl)propanamide;hydrochloride?
3-amino-N-(4-ethyl-3-sulfamoylphenyl)propanamide;hydrochloride has a molecular weight of 307.80 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-ethyl-3-sulfamoylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119307317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).