4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2S)-1-aminopropan-2-yl]benzamide;hydrochloride

C19H24ClN3O4S — CID 120508926

IUPAC4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2S)-1-aminopropan-2-yl]benzamide;hydrochloride
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N[C@@H](C)CN)cc2)cc1.Cl
InChIInChI=1S/C19H23N3O4S.ClH/c1-13(11-20)22-19(24)17-5-3-15(4-6-17)12-21-27(25,26)18-9-7-16(8-10-18)14(2)23;/h3-10,13,21H,11-12,20H2,1-2H3,(H,22,24);1H/t13-;/m0./s1
InChIKeySHWUAPHFWBTZAA-ZOWNYOTGSA-N
MW425.94 g/mol
LogP1.87
Rot. Bonds8

About 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2S)-1-aminopropan-2-yl]benzamide;hydrochloride

4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2S)-1-aminopropan-2-yl]benzamide;hydrochloride (PubChem CID 120508926) has the molecular formula C19H24ClN3O4S and a molecular weight of 425.94 g/mol. Its IUPAC name is 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2S)-1-aminopropan-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2S)-1-aminopropan-2-yl]benzamide;hydrochloride
PubChem CID120508926
Molecular FormulaC19H24ClN3O4S
Molecular Weight425.94 g/mol
Exact Mass425.12
IUPAC Name4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2S)-1-aminopropan-2-yl]benzamide;hydrochloride
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N[C@@H](C)CN)cc2)cc1.Cl
InChIInChI=1S/C19H23N3O4S.ClH/c1-13(11-20)22-19(24)17-5-3-15(4-6-17)12-21-27(25,26)18-9-7-16(8-10-18)14(2)23;/h3-10,13,21H,11-12,20H2,1-2H3,(H,22,24);1H/t13-;/m0./s1
InChIKeySHWUAPHFWBTZAA-ZOWNYOTGSA-N
XLogP1.87
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(4-bromophenyl)sulfonylamino]methyl]-N-butan-2-ylbenzamide
CID 25044694
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[1-(4-ethoxyphenyl)ethyl]benzamide
CID 24575206
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1S)-1-(3-fluorophenyl)ethyl]benzamide
CID 41138201
propan-2-yl 2-[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]acetate
CID 56543920
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(1-phenylbutyl)benzamide
CID 24547843
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]benzamide
CID 41139381
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide
CID 8621593
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(4-bromophenyl)benzamide
CID 29371083
N-[(2S)-1-aminopropan-2-yl]-4-(difluoromethylsulfonylmethyl)benzamide;hydrochloride
CID 120508261
bis(N-[(4-acetylphenyl)methyl]-4-hydroxy-3-methylbenzenesulfonamide);2-methylpropane
CID 159833289
N-[(2S)-1-aminopropan-2-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 120508941
N-butan-2-yl-4-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109059006

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2S)-1-aminopropan-2-yl]benzamide;hydrochloride?
The IUPAC name of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2S)-1-aminopropan-2-yl]benzamide;hydrochloride (CID 120508926) is 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2S)-1-aminopropan-2-yl]benzamide;hydrochloride.
What is the SMILES notation for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2S)-1-aminopropan-2-yl]benzamide;hydrochloride?
The canonical SMILES for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2S)-1-aminopropan-2-yl]benzamide;hydrochloride is CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N[C@@H](C)CN)cc2)cc1.Cl.
What is the InChIKey of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2S)-1-aminopropan-2-yl]benzamide;hydrochloride?
The InChIKey is SHWUAPHFWBTZAA-ZOWNYOTGSA-N. The full InChI is InChI=1S/C19H23N3O4S.ClH/c1-13(11-20)22-19(24)17-5-3-15(4-6-17)12-21-27(25,26)18-9-7-16(8-10-18)14(2)23;/h3-10,13,21H,11-12,20H2,1-2H3,(H,22,24);1H/t13-;/m0./s1.
What are the key properties of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2S)-1-aminopropan-2-yl]benzamide;hydrochloride?
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2S)-1-aminopropan-2-yl]benzamide;hydrochloride has a molecular weight of 425.94 g/mol, XLogP of 1.87, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2S)-1-aminopropan-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 120508926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).