3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(3-methylsulfanylphenyl)propanamide

C20H26N2O3S2 — CID 1289175

IUPAC3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)c1
InChIInChI=1S/C20H26N2O3S2/c1-15(2)14-21-27(24,25)19-10-7-16(8-11-19)9-12-20(23)22-17-5-4-6-18(13-17)26-3/h4-8,10-11,13,15,21H,9,12,14H2,1-3H3,(H,22,23)
InChIKeyOSTQKXKGMJURGG-UHFFFAOYSA-N
MW406.57 g/mol
LogP3.91
Rot. Bonds9

About 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(3-methylsulfanylphenyl)propanamide

3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(3-methylsulfanylphenyl)propanamide (PubChem CID 1289175) has the molecular formula C20H26N2O3S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(3-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(3-methylsulfanylphenyl)propanamide
PubChem CID1289175
Molecular FormulaC20H26N2O3S2
Molecular Weight406.57 g/mol
Exact Mass406.14
IUPAC Name3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)c1
InChIInChI=1S/C20H26N2O3S2/c1-15(2)14-21-27(24,25)19-10-7-16(8-11-19)9-12-20(23)22-17-5-4-6-18(13-17)26-3/h4-8,10-11,13,15,21H,9,12,14H2,1-3H3,(H,22,23)
InChIKeyOSTQKXKGMJURGG-UHFFFAOYSA-N
XLogP3.91
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(3-methylsulfanylphenyl)propanamide?
The IUPAC name of 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(3-methylsulfanylphenyl)propanamide (CID 1289175) is 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(3-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(3-methylsulfanylphenyl)propanamide?
The canonical SMILES for 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(3-methylsulfanylphenyl)propanamide is CSc1cccc(NC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)c1.
What is the InChIKey of 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(3-methylsulfanylphenyl)propanamide?
The InChIKey is OSTQKXKGMJURGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S2/c1-15(2)14-21-27(24,25)19-10-7-16(8-11-19)9-12-20(23)22-17-5-4-6-18(13-17)26-3/h4-8,10-11,13,15,21H,9,12,14H2,1-3H3,(H,22,23).
What are the key properties of 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(3-methylsulfanylphenyl)propanamide?
3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(3-methylsulfanylphenyl)propanamide has a molecular weight of 406.57 g/mol, XLogP of 3.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(3-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 1289175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).