4-(ethylsulfonylamino)-N-(2-phenylsulfanylethyl)benzamide

C17H20N2O3S2 — CID 2993050

IUPAC4-(ethylsulfonylamino)-N-(2-phenylsulfanylethyl)benzamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)NCCSc2ccccc2)cc1
InChIInChI=1S/C17H20N2O3S2/c1-2-24(21,22)19-15-10-8-14(9-11-15)17(20)18-12-13-23-16-6-4-3-5-7-16/h3-11,19H,2,12-13H2,1H3,(H,18,20)
InChIKeyWQKRIXHHXIRBNI-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.97
Rot. Bonds8

About 4-(ethylsulfonylamino)-N-(2-phenylsulfanylethyl)benzamide

4-(ethylsulfonylamino)-N-(2-phenylsulfanylethyl)benzamide (PubChem CID 2993050) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-(ethylsulfonylamino)-N-(2-phenylsulfanylethyl)benzamide.

Molecular Properties

Compound Name4-(ethylsulfonylamino)-N-(2-phenylsulfanylethyl)benzamide
PubChem CID2993050
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name4-(ethylsulfonylamino)-N-(2-phenylsulfanylethyl)benzamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)NCCSc2ccccc2)cc1
InChIInChI=1S/C17H20N2O3S2/c1-2-24(21,22)19-15-10-8-14(9-11-15)17(20)18-12-13-23-16-6-4-3-5-7-16/h3-11,19H,2,12-13H2,1H3,(H,18,20)
InChIKeyWQKRIXHHXIRBNI-UHFFFAOYSA-N
XLogP2.97
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfonylamino)-N-(2-phenylsulfanylethyl)benzamide?
The IUPAC name of 4-(ethylsulfonylamino)-N-(2-phenylsulfanylethyl)benzamide (CID 2993050) is 4-(ethylsulfonylamino)-N-(2-phenylsulfanylethyl)benzamide.
What is the SMILES notation for 4-(ethylsulfonylamino)-N-(2-phenylsulfanylethyl)benzamide?
The canonical SMILES for 4-(ethylsulfonylamino)-N-(2-phenylsulfanylethyl)benzamide is CCS(=O)(=O)Nc1ccc(C(=O)NCCSc2ccccc2)cc1.
What is the InChIKey of 4-(ethylsulfonylamino)-N-(2-phenylsulfanylethyl)benzamide?
The InChIKey is WQKRIXHHXIRBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-2-24(21,22)19-15-10-8-14(9-11-15)17(20)18-12-13-23-16-6-4-3-5-7-16/h3-11,19H,2,12-13H2,1H3,(H,18,20).
What are the key properties of 4-(ethylsulfonylamino)-N-(2-phenylsulfanylethyl)benzamide?
4-(ethylsulfonylamino)-N-(2-phenylsulfanylethyl)benzamide has a molecular weight of 364.49 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfonylamino)-N-(2-phenylsulfanylethyl)benzamide is sourced from PubChem (CID 2993050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).