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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Related Compounds

2-phenyl-N-(4-sulfamoylphenyl)acetamide
CID 729977
N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3656150
N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 7066682
N-(4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}phenyl)acetamide
CID 1977749
4-tert-butyl-N-(3-sulfamoylphenyl)benzamide
CID 2812911
2,3,5,6-tetrafluoro-N-(3-sulfamoylphenyl)benzamide
CID 10383098
N-(4-{[(3-phenylpropyl)amino]sulfonyl}phenyl)acetamide
CID 2164921
N-(4-(((1-Methylethyl)(phenylmethyl)amino)sulfonyl)phenyl)acetamide
CID 669165
N-[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)phenyl]acetamide
CID 720097
Sulfonamide deriv., 7d
CID 44520901
1-benzyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4884161
Sodium 3-[(2-benzyl-3-sulfanylpropanoyl)amino]benzenesulfonate
CID 23680512

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).