N-(2-phenylethyl)-2-(propylsulfonylamino)benzamide

C18H22N2O3S — CID 2448345

IUPACN-(2-phenylethyl)-2-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-2-14-24(22,23)20-17-11-7-6-10-16(17)18(21)19-13-12-15-8-4-3-5-9-15/h3-11,20H,2,12-14H2,1H3,(H,19,21)
InChIKeyRHURNRGATIYMGQ-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.81
Rot. Bonds8

About N-(2-phenylethyl)-2-(propylsulfonylamino)benzamide

N-(2-phenylethyl)-2-(propylsulfonylamino)benzamide (PubChem CID 2448345) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-(propylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-(propylsulfonylamino)benzamide
PubChem CID2448345
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-(2-phenylethyl)-2-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-2-14-24(22,23)20-17-11-7-6-10-16(17)18(21)19-13-12-15-8-4-3-5-9-15/h3-11,20H,2,12-14H2,1H3,(H,19,21)
InChIKeyRHURNRGATIYMGQ-UHFFFAOYSA-N
XLogP2.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-2-(propylsulfonylamino)benzamide
CID 47104367
N-(2-amino-2-ethylbutyl)-2-(propylsulfonylamino)benzamide
CID 119639934
N-(2-phenylethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide
CID 2336942
2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 2333846
(2S)-2-[[2-(propylsulfonylamino)benzoyl]amino]propanoic acid
CID 119943359
2-(ethylsulfonylamino)-N-(2-methoxyethyl)benzamide
CID 47141588
N-[2-(ethylamino)ethyl]-2-(ethylsulfonylamino)benzamide
CID 119508738
2-[[2-(propylsulfonylamino)benzoyl]amino]butanoic acid
CID 120523197
[2-(2-phenylethylcarbamoyl)phenyl]carbamothioic S-acid
CID 155166285
2-(2-phenylethylsulfonylamino)benzamide
CID 110756518
N-[(2R)-2-(ethylamino)propyl]-2-(propylsulfonylamino)benzamide;hydrochloride
CID 120650844
2-[(4-chlorophenyl)methylsulfonylamino]-N-propylbenzamide
CID 17321566

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-(propylsulfonylamino)benzamide?
The IUPAC name of N-(2-phenylethyl)-2-(propylsulfonylamino)benzamide (CID 2448345) is N-(2-phenylethyl)-2-(propylsulfonylamino)benzamide.
What is the SMILES notation for N-(2-phenylethyl)-2-(propylsulfonylamino)benzamide?
The canonical SMILES for N-(2-phenylethyl)-2-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1ccccc1C(=O)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-(propylsulfonylamino)benzamide?
The InChIKey is RHURNRGATIYMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-2-14-24(22,23)20-17-11-7-6-10-16(17)18(21)19-13-12-15-8-4-3-5-9-15/h3-11,20H,2,12-14H2,1H3,(H,19,21).
What are the key properties of N-(2-phenylethyl)-2-(propylsulfonylamino)benzamide?
N-(2-phenylethyl)-2-(propylsulfonylamino)benzamide has a molecular weight of 346.45 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-(propylsulfonylamino)benzamide is sourced from PubChem (CID 2448345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).