3-(dimethylsulfamoyl)-N-[(1R)-1-phenylpropyl]benzamide

C18H22N2O3S — CID 100625308

IUPAC3-(dimethylsulfamoyl)-N-[(1R)-1-phenylpropyl]benzamide
SMILESCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-4-17(14-9-6-5-7-10-14)19-18(21)15-11-8-12-16(13-15)24(22,23)20(2)3/h5-13,17H,4H2,1-3H3,(H,19,21)/t17-/m1/s1
InChIKeyVBUFZJHNBGYYKA-QGZVFWFLSA-N
MW346.45 g/mol
LogP2.82
Rot. Bonds6

About 3-(dimethylsulfamoyl)-N-[(1R)-1-phenylpropyl]benzamide

3-(dimethylsulfamoyl)-N-[(1R)-1-phenylpropyl]benzamide (PubChem CID 100625308) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[(1R)-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[(1R)-1-phenylpropyl]benzamide
PubChem CID100625308
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name3-(dimethylsulfamoyl)-N-[(1R)-1-phenylpropyl]benzamide
SMILESCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-4-17(14-9-6-5-7-10-14)19-18(21)15-11-8-12-16(13-15)24(22,23)20(2)3/h5-13,17H,4H2,1-3H3,(H,19,21)/t17-/m1/s1
InChIKeyVBUFZJHNBGYYKA-QGZVFWFLSA-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

[(2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-2-phenylethyl]-dimethylazanium
CID 8936150
3-[(4-fluorophenyl)-methylsulfamoyl]-N-(1-phenylpropyl)benzamide
CID 132667870
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-3-(dimethylsulfamoyl)benzamide
CID 100626865
3-(dimethylsulfamoyl)-N-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]benzamide
CID 8624124
3-(dimethylsulfamoyl)-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide
CID 46433526
3-hydroxy-N-(1-phenylpropyl)benzamide
CID 55057527
methyl (2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-3-phenylpropanoate
CID 2537053
3-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 8923186
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
3-[(4-fluorophenyl)-methylsulfamoyl]-N-[1-(4-methylphenyl)propyl]benzamide
CID 132672050
methyl 3-(1-phenylpropylcarbamoyl)benzoate
CID 43911594
[(1R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium
CID 2394214

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[(1R)-1-phenylpropyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[(1R)-1-phenylpropyl]benzamide (CID 100625308) is 3-(dimethylsulfamoyl)-N-[(1R)-1-phenylpropyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[(1R)-1-phenylpropyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[(1R)-1-phenylpropyl]benzamide is CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[(1R)-1-phenylpropyl]benzamide?
The InChIKey is VBUFZJHNBGYYKA-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-4-17(14-9-6-5-7-10-14)19-18(21)15-11-8-12-16(13-15)24(22,23)20(2)3/h5-13,17H,4H2,1-3H3,(H,19,21)/t17-/m1/s1.
What are the key properties of 3-(dimethylsulfamoyl)-N-[(1R)-1-phenylpropyl]benzamide?
3-(dimethylsulfamoyl)-N-[(1R)-1-phenylpropyl]benzamide 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 3-(dimethylsulfamoyl)-N-[(1R)-1-phenylpropyl]benzamide is sourced from PubChem (CID 100625308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).