2-[(4-acetamidophenyl)sulfonylamino]-N-(2-amino-1-cyclopropylethyl)propanamide;hydrochloride

C16H25ClN4O4S — CID 119616338

IUPAC2-[(4-acetamidophenyl)sulfonylamino]-N-(2-amino-1-cyclopropylethyl)propanamide;hydrochloride
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(C)C(=O)NC(CN)C2CC2)cc1.Cl
InChIInChI=1S/C16H24N4O4S.ClH/c1-10(16(22)19-15(9-17)12-3-4-12)20-25(23,24)14-7-5-13(6-8-14)18-11(2)21;/h5-8,10,12,15,20H,3-4,9,17H2,1-2H3,(H,18,21)(H,19,22);1H
InChIKeyGWOPNJVULXWKTA-UHFFFAOYSA-N
MW404.92 g/mol
LogP0.59
Rot. Bonds8

About 2-[(4-acetamidophenyl)sulfonylamino]-N-(2-amino-1-cyclopropylethyl)propanamide;hydrochloride

2-[(4-acetamidophenyl)sulfonylamino]-N-(2-amino-1-cyclopropylethyl)propanamide;hydrochloride (PubChem CID 119616338) has the molecular formula C16H25ClN4O4S and a molecular weight of 404.92 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonylamino]-N-(2-amino-1-cyclopropylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonylamino]-N-(2-amino-1-cyclopropylethyl)propanamide;hydrochloride
PubChem CID119616338
Molecular FormulaC16H25ClN4O4S
Molecular Weight404.92 g/mol
Exact Mass404.13
IUPAC Name2-[(4-acetamidophenyl)sulfonylamino]-N-(2-amino-1-cyclopropylethyl)propanamide;hydrochloride
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(C)C(=O)NC(CN)C2CC2)cc1.Cl
InChIInChI=1S/C16H24N4O4S.ClH/c1-10(16(22)19-15(9-17)12-3-4-12)20-25(23,24)14-7-5-13(6-8-14)18-11(2)21;/h5-8,10,12,15,20H,3-4,9,17H2,1-2H3,(H,18,21)(H,19,22);1H
InChIKeyGWOPNJVULXWKTA-UHFFFAOYSA-N
XLogP0.59
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2-amino-1-cyclopentylethyl)sulfamoyl]phenyl]propanamide;hydrochloride
CID 120585027
2-[2-[(4-acetamidophenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119224998
2-[(4-acetamidophenyl)sulfonylamino]-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide
CID 119574894
2-(4-acetamidophenyl)sulfanyl-N-(2-amino-1-cyclopropylethyl)propanamide
CID 119615568
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 24537281
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 119983132
N-[4-[[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride
CID 119468711
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
methyl 2-[[4-(4-acetamidophenyl)phenyl]sulfonylamino]propanoate
CID 17441403

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonylamino]-N-(2-amino-1-cyclopropylethyl)propanamide;hydrochloride?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonylamino]-N-(2-amino-1-cyclopropylethyl)propanamide;hydrochloride (CID 119616338) is 2-[(4-acetamidophenyl)sulfonylamino]-N-(2-amino-1-cyclopropylethyl)propanamide;hydrochloride.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonylamino]-N-(2-amino-1-cyclopropylethyl)propanamide;hydrochloride?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonylamino]-N-(2-amino-1-cyclopropylethyl)propanamide;hydrochloride is CC(=O)Nc1ccc(S(=O)(=O)NC(C)C(=O)NC(CN)C2CC2)cc1.Cl.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonylamino]-N-(2-amino-1-cyclopropylethyl)propanamide;hydrochloride?
The InChIKey is GWOPNJVULXWKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S.ClH/c1-10(16(22)19-15(9-17)12-3-4-12)20-25(23,24)14-7-5-13(6-8-14)18-11(2)21;/h5-8,10,12,15,20H,3-4,9,17H2,1-2H3,(H,18,21)(H,19,22);1H.
What are the key properties of 2-[(4-acetamidophenyl)sulfonylamino]-N-(2-amino-1-cyclopropylethyl)propanamide;hydrochloride?
2-[(4-acetamidophenyl)sulfonylamino]-N-(2-amino-1-cyclopropylethyl)propanamide;hydrochloride has a molecular weight of 404.92 g/mol, XLogP of 0.59, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonylamino]-N-(2-amino-1-cyclopropylethyl)propanamide;hydrochloride is sourced from PubChem (CID 119616338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).