N-(2-amino-2-phenylethyl)-4-(propylsulfonylamino)benzamide;hydrochloride

C18H24ClN3O3S — CID 119528189

IUPACN-(2-amino-2-phenylethyl)-4-(propylsulfonylamino)benzamide;hydrochloride
SMILESCCCS(=O)(=O)Nc1ccc(C(=O)NCC(N)c2ccccc2)cc1.Cl
InChIInChI=1S/C18H23N3O3S.ClH/c1-2-12-25(23,24)21-16-10-8-15(9-11-16)18(22)20-13-17(19)14-6-4-3-5-7-14;/h3-11,17,21H,2,12-13,19H2,1H3,(H,20,22);1H
InChIKeyBQBDAFCPERAMJO-UHFFFAOYSA-N
MW397.93 g/mol
LogP2.69
Rot. Bonds8

About N-(2-amino-2-phenylethyl)-4-(propylsulfonylamino)benzamide;hydrochloride

N-(2-amino-2-phenylethyl)-4-(propylsulfonylamino)benzamide;hydrochloride (PubChem CID 119528189) has the molecular formula C18H24ClN3O3S and a molecular weight of 397.93 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-4-(propylsulfonylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-4-(propylsulfonylamino)benzamide;hydrochloride
PubChem CID119528189
Molecular FormulaC18H24ClN3O3S
Molecular Weight397.93 g/mol
Exact Mass397.12
IUPAC NameN-(2-amino-2-phenylethyl)-4-(propylsulfonylamino)benzamide;hydrochloride
SMILESCCCS(=O)(=O)Nc1ccc(C(=O)NCC(N)c2ccccc2)cc1.Cl
InChIInChI=1S/C18H23N3O3S.ClH/c1-2-12-25(23,24)21-16-10-8-15(9-11-16)18(22)20-13-17(19)14-6-4-3-5-7-14;/h3-11,17,21H,2,12-13,19H2,1H3,(H,20,22);1H
InChIKeyBQBDAFCPERAMJO-UHFFFAOYSA-N
XLogP2.69
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylsulfonylamino)-N-(2-phenylpropyl)benzamide
CID 133163901
N-(2-amino-2-phenylethyl)-2-propylsulfonylacetamide;hydrochloride
CID 119527676
N-(2-amino-2-phenylethyl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride
CID 119528684
N-(2-amino-2-phenylethyl)-4-methylsulfanylbenzamide
CID 79217340
4-(methanesulfonamido)-N-(2-phenylbutyl)benzamide
CID 46510116
N-[3-(methylamino)propyl]-4-(propylsulfonylamino)benzamide;hydrochloride
CID 119431070
N-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide
CID 63120465
N-[4-[(1S)-1-aminoethyl]phenyl]propane-1-sulfonamide
CID 30120117
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221
N-(2-amino-2-phenylethyl)-3,4,5-triethoxybenzamide
CID 119527990
N-(2-amino-2-phenylethyl)-4-butoxy-3-ethoxybenzamide;hydrochloride
CID 119528577
4-[(3-amino-3-phenylpropanoyl)amino]-N-propylbenzamide
CID 119950298

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-4-(propylsulfonylamino)benzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-4-(propylsulfonylamino)benzamide;hydrochloride (CID 119528189) is N-(2-amino-2-phenylethyl)-4-(propylsulfonylamino)benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-4-(propylsulfonylamino)benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-4-(propylsulfonylamino)benzamide;hydrochloride is CCCS(=O)(=O)Nc1ccc(C(=O)NCC(N)c2ccccc2)cc1.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-4-(propylsulfonylamino)benzamide;hydrochloride?
The InChIKey is BQBDAFCPERAMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S.ClH/c1-2-12-25(23,24)21-16-10-8-15(9-11-16)18(22)20-13-17(19)14-6-4-3-5-7-14;/h3-11,17,21H,2,12-13,19H2,1H3,(H,20,22);1H.
What are the key properties of N-(2-amino-2-phenylethyl)-4-(propylsulfonylamino)benzamide;hydrochloride?
N-(2-amino-2-phenylethyl)-4-(propylsulfonylamino)benzamide;hydrochloride has a molecular weight of 397.93 g/mol, XLogP of 2.69, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-4-(propylsulfonylamino)benzamide;hydrochloride is sourced from PubChem (CID 119528189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).