N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenylpropanamide

C18H22N2O3S — CID 2812928

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenylpropanamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCc1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-14-9-11-16(24(22,23)20(2)3)13-17(14)19-18(21)12-10-15-7-5-4-6-8-15/h4-9,11,13H,10,12H2,1-3H3,(H,19,21)
InChIKeyIIWIRZFJNUKGRO-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.82
Rot. Bonds6

About N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenylpropanamide

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenylpropanamide (PubChem CID 2812928) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenylpropanamide
PubChem CID2812928
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenylpropanamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCc1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-14-9-11-16(24(22,23)20(2)3)13-17(14)19-18(21)12-10-15-7-5-4-6-8-15/h4-9,11,13H,10,12H2,1-3H3,(H,19,21)
InChIKeyIIWIRZFJNUKGRO-UHFFFAOYSA-N
XLogP2.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenylpropanamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenylpropanamide (CID 2812928) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenylpropanamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenylpropanamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCc1ccccc1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenylpropanamide?
The InChIKey is IIWIRZFJNUKGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14-9-11-16(24(22,23)20(2)3)13-17(14)19-18(21)12-10-15-7-5-4-6-8-15/h4-9,11,13H,10,12H2,1-3H3,(H,19,21).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenylpropanamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenylpropanamide has a molecular weight of 346.45 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenylpropanamide is sourced from PubChem (CID 2812928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).