N-[4-(butylsulfonylamino)phenyl]-2-(methylamino)acetamide;hydrochloride

C13H22ClN3O3S — CID 119800492

IUPACN-[4-(butylsulfonylamino)phenyl]-2-(methylamino)acetamide;hydrochloride
SMILESCCCCS(=O)(=O)Nc1ccc(NC(=O)CNC)cc1.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-3-4-9-20(18,19)16-12-7-5-11(6-8-12)15-13(17)10-14-2;/h5-8,14,16H,3-4,9-10H2,1-2H3,(H,15,17);1H
InChIKeyXZUQKVAFOQXPLW-UHFFFAOYSA-N
MW335.86 g/mol
LogP1.81
Rot. Bonds8

About N-[4-(butylsulfonylamino)phenyl]-2-(methylamino)acetamide;hydrochloride

N-[4-(butylsulfonylamino)phenyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 119800492) has the molecular formula C13H22ClN3O3S and a molecular weight of 335.86 g/mol. Its IUPAC name is N-[4-(butylsulfonylamino)phenyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(butylsulfonylamino)phenyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID119800492
Molecular FormulaC13H22ClN3O3S
Molecular Weight335.86 g/mol
Exact Mass335.11
IUPAC NameN-[4-(butylsulfonylamino)phenyl]-2-(methylamino)acetamide;hydrochloride
SMILESCCCCS(=O)(=O)Nc1ccc(NC(=O)CNC)cc1.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-3-4-9-20(18,19)16-12-7-5-11(6-8-12)15-13(17)10-14-2;/h5-8,14,16H,3-4,9-10H2,1-2H3,(H,15,17);1H
InChIKeyXZUQKVAFOQXPLW-UHFFFAOYSA-N
XLogP1.81
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 112998471
3-(2-aminophenyl)-N-[4-(butylsulfonylamino)phenyl]propanamide;hydrochloride
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2-(2-methoxyethylamino)-N-[4-(propylsulfonylamino)phenyl]acetamide;hydrochloride
CID 119754250
N-[4-(butylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119800516
2-(methylamino)-N-(4-pentylphenyl)acetamide
CID 61249144
7-amino-N-[4-(propylsulfonylamino)phenyl]heptanamide;hydrochloride
CID 119754206
(2E,4E)-N-[4-(butylsulfonylamino)phenyl]hexa-2,4-dienamide
CID 75533656
N-(4-benzoylphenyl)butane-1-sulfonamide
CID 21486671
N-[4-(butylsulfonylamino)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
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CID 154755711

Frequently Asked Questions

What is the IUPAC name of N-[4-(butylsulfonylamino)phenyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[4-(butylsulfonylamino)phenyl]-2-(methylamino)acetamide;hydrochloride (CID 119800492) is N-[4-(butylsulfonylamino)phenyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[4-(butylsulfonylamino)phenyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[4-(butylsulfonylamino)phenyl]-2-(methylamino)acetamide;hydrochloride is CCCCS(=O)(=O)Nc1ccc(NC(=O)CNC)cc1.Cl.
What is the InChIKey of N-[4-(butylsulfonylamino)phenyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is XZUQKVAFOQXPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S.ClH/c1-3-4-9-20(18,19)16-12-7-5-11(6-8-12)15-13(17)10-14-2;/h5-8,14,16H,3-4,9-10H2,1-2H3,(H,15,17);1H.
What are the key properties of N-[4-(butylsulfonylamino)phenyl]-2-(methylamino)acetamide;hydrochloride?
N-[4-(butylsulfonylamino)phenyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 335.86 g/mol, XLogP of 1.81, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylsulfonylamino)phenyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119800492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).