3-(2-aminophenyl)-N-[4-(butylsulfonylamino)phenyl]propanamide;hydrochloride

C19H26ClN3O3S — CID 120611222

IUPAC3-(2-aminophenyl)-N-[4-(butylsulfonylamino)phenyl]propanamide;hydrochloride
SMILESCCCCS(=O)(=O)Nc1ccc(NC(=O)CCc2ccccc2N)cc1.Cl
InChIInChI=1S/C19H25N3O3S.ClH/c1-2-3-14-26(24,25)22-17-11-9-16(10-12-17)21-19(23)13-8-15-6-4-5-7-18(15)20;/h4-7,9-12,22H,2-3,8,13-14,20H2,1H3,(H,21,23);1H
InChIKeyQMQWAALODDGLOZ-UHFFFAOYSA-N
MW411.96 g/mol
LogP3.80
Rot. Bonds9

About 3-(2-aminophenyl)-N-[4-(butylsulfonylamino)phenyl]propanamide;hydrochloride

3-(2-aminophenyl)-N-[4-(butylsulfonylamino)phenyl]propanamide;hydrochloride (PubChem CID 120611222) has the molecular formula C19H26ClN3O3S and a molecular weight of 411.96 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[4-(butylsulfonylamino)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[4-(butylsulfonylamino)phenyl]propanamide;hydrochloride
PubChem CID120611222
Molecular FormulaC19H26ClN3O3S
Molecular Weight411.96 g/mol
Exact Mass411.14
IUPAC Name3-(2-aminophenyl)-N-[4-(butylsulfonylamino)phenyl]propanamide;hydrochloride
SMILESCCCCS(=O)(=O)Nc1ccc(NC(=O)CCc2ccccc2N)cc1.Cl
InChIInChI=1S/C19H25N3O3S.ClH/c1-2-3-14-26(24,25)22-17-11-9-16(10-12-17)21-19(23)13-8-15-6-4-5-7-18(15)20;/h4-7,9-12,22H,2-3,8,13-14,20H2,1H3,(H,21,23);1H
InChIKeyQMQWAALODDGLOZ-UHFFFAOYSA-N
XLogP3.80
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.96
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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3-(2-aminophenyl)-N-(4-chlorophenyl)propanamide
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3-(2-aminophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 120608573
7-amino-N-[4-(propylsulfonylamino)phenyl]heptanamide;hydrochloride
CID 119754206
3-(2-aminophenyl)-N-(2-butoxyphenyl)propanamide;hydrochloride
CID 120608637
2-ethylaniline;N-phenylbutanamide
CID 68720946
ethyl 2-[[4-[3-(2-aminophenyl)propanoylamino]benzoyl]amino]propanoate;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[4-(butylsulfonylamino)phenyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[4-(butylsulfonylamino)phenyl]propanamide;hydrochloride (CID 120611222) is 3-(2-aminophenyl)-N-[4-(butylsulfonylamino)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[4-(butylsulfonylamino)phenyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[4-(butylsulfonylamino)phenyl]propanamide;hydrochloride is CCCCS(=O)(=O)Nc1ccc(NC(=O)CCc2ccccc2N)cc1.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[4-(butylsulfonylamino)phenyl]propanamide;hydrochloride?
The InChIKey is QMQWAALODDGLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S.ClH/c1-2-3-14-26(24,25)22-17-11-9-16(10-12-17)21-19(23)13-8-15-6-4-5-7-18(15)20;/h4-7,9-12,22H,2-3,8,13-14,20H2,1H3,(H,21,23);1H.
What are the key properties of 3-(2-aminophenyl)-N-[4-(butylsulfonylamino)phenyl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-[4-(butylsulfonylamino)phenyl]propanamide;hydrochloride has a molecular weight of 411.96 g/mol, XLogP of 3.80, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[4-(butylsulfonylamino)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 120611222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).