3-[4-(ethylsulfamoyl)phenyl]-N-(3-methylsulfanylphenyl)propanamide

C18H22N2O3S2 — CID 2228012

IUPAC3-[4-(ethylsulfamoyl)phenyl]-N-(3-methylsulfanylphenyl)propanamide
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(SC)c2)cc1
InChIInChI=1S/C18H22N2O3S2/c1-3-19-25(22,23)17-10-7-14(8-11-17)9-12-18(21)20-15-5-4-6-16(13-15)24-2/h4-8,10-11,13,19H,3,9,12H2,1-2H3,(H,20,21)
InChIKeyRFVMEPPKCYWHSO-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.28
Rot. Bonds8

About 3-[4-(ethylsulfamoyl)phenyl]-N-(3-methylsulfanylphenyl)propanamide

3-[4-(ethylsulfamoyl)phenyl]-N-(3-methylsulfanylphenyl)propanamide (PubChem CID 2228012) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-[4-(ethylsulfamoyl)phenyl]-N-(3-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(ethylsulfamoyl)phenyl]-N-(3-methylsulfanylphenyl)propanamide
PubChem CID2228012
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC Name3-[4-(ethylsulfamoyl)phenyl]-N-(3-methylsulfanylphenyl)propanamide
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(SC)c2)cc1
InChIInChI=1S/C18H22N2O3S2/c1-3-19-25(22,23)17-10-7-14(8-11-17)9-12-18(21)20-15-5-4-6-16(13-15)24-2/h4-8,10-11,13,19H,3,9,12H2,1-2H3,(H,20,21)
InChIKeyRFVMEPPKCYWHSO-UHFFFAOYSA-N
XLogP3.28
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(ethylsulfamoyl)phenyl]-N-(3-methylsulfanylphenyl)propanamide?
The IUPAC name of 3-[4-(ethylsulfamoyl)phenyl]-N-(3-methylsulfanylphenyl)propanamide (CID 2228012) is 3-[4-(ethylsulfamoyl)phenyl]-N-(3-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-[4-(ethylsulfamoyl)phenyl]-N-(3-methylsulfanylphenyl)propanamide?
The canonical SMILES for 3-[4-(ethylsulfamoyl)phenyl]-N-(3-methylsulfanylphenyl)propanamide is CCNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(SC)c2)cc1.
What is the InChIKey of 3-[4-(ethylsulfamoyl)phenyl]-N-(3-methylsulfanylphenyl)propanamide?
The InChIKey is RFVMEPPKCYWHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-3-19-25(22,23)17-10-7-14(8-11-17)9-12-18(21)20-15-5-4-6-16(13-15)24-2/h4-8,10-11,13,19H,3,9,12H2,1-2H3,(H,20,21).
What are the key properties of 3-[4-(ethylsulfamoyl)phenyl]-N-(3-methylsulfanylphenyl)propanamide?
3-[4-(ethylsulfamoyl)phenyl]-N-(3-methylsulfanylphenyl)propanamide has a molecular weight of 378.52 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(ethylsulfamoyl)phenyl]-N-(3-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 2228012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).