3-(dimethylsulfamoyl)-N-[(2R)-1-phenoxypropan-2-yl]benzamide

C18H22N2O4S — CID 94625046

IUPAC3-(dimethylsulfamoyl)-N-[(2R)-1-phenoxypropan-2-yl]benzamide
SMILESC[C@H](COc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H22N2O4S/c1-14(13-24-16-9-5-4-6-10-16)19-18(21)15-8-7-11-17(12-15)25(22,23)20(2)3/h4-12,14H,13H2,1-3H3,(H,19,21)/t14-/m1/s1
InChIKeyYSKAGPJZSFTEIE-CQSZACIVSA-N
MW362.45 g/mol
LogP2.13
Rot. Bonds7

About 3-(dimethylsulfamoyl)-N-[(2R)-1-phenoxypropan-2-yl]benzamide

3-(dimethylsulfamoyl)-N-[(2R)-1-phenoxypropan-2-yl]benzamide (PubChem CID 94625046) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[(2R)-1-phenoxypropan-2-yl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[(2R)-1-phenoxypropan-2-yl]benzamide
PubChem CID94625046
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name3-(dimethylsulfamoyl)-N-[(2R)-1-phenoxypropan-2-yl]benzamide
SMILESC[C@H](COc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H22N2O4S/c1-14(13-24-16-9-5-4-6-10-16)19-18(21)15-8-7-11-17(12-15)25(22,23)20(2)3/h4-12,14H,13H2,1-3H3,(H,19,21)/t14-/m1/s1
InChIKeyYSKAGPJZSFTEIE-CQSZACIVSA-N
XLogP2.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylsulfamoyl)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]benzamide
CID 94623465
3-(dimethylsulfamoyl)-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide
CID 46433526
3-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 8923186
4-[benzenesulfonyl(ethyl)amino]-N-[(2R)-1-phenoxypropan-2-yl]benzamide
CID 125043112
3-(dimethylsulfamoyl)-N-[(1R)-1-phenylpropyl]benzamide
CID 100625308
methyl (2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-3-phenylpropanoate
CID 2537053
[(2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-2-phenylethyl]-dimethylazanium
CID 8936150
3-[methyl(phenyl)sulfamoyl]-N-[(2R)-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide
CID 92853144
3-[methyl(phenyl)sulfamoyl]-N-[2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide
CID 4230999
3-[methyl(methylsulfonyl)amino]-N-[1-(4-methylphenoxy)propan-2-yl]benzamide
CID 132656604
N-butan-2-yl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 133231331
3-[[(3-methoxybenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 9473161

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[(2R)-1-phenoxypropan-2-yl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[(2R)-1-phenoxypropan-2-yl]benzamide (CID 94625046) is 3-(dimethylsulfamoyl)-N-[(2R)-1-phenoxypropan-2-yl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[(2R)-1-phenoxypropan-2-yl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[(2R)-1-phenoxypropan-2-yl]benzamide is C[C@H](COc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[(2R)-1-phenoxypropan-2-yl]benzamide?
The InChIKey is YSKAGPJZSFTEIE-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-14(13-24-16-9-5-4-6-10-16)19-18(21)15-8-7-11-17(12-15)25(22,23)20(2)3/h4-12,14H,13H2,1-3H3,(H,19,21)/t14-/m1/s1.
What are the key properties of 3-(dimethylsulfamoyl)-N-[(2R)-1-phenoxypropan-2-yl]benzamide?
3-(dimethylsulfamoyl)-N-[(2R)-1-phenoxypropan-2-yl]benzamide has a molecular weight of 362.45 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[(2R)-1-phenoxypropan-2-yl]benzamide is sourced from PubChem (CID 94625046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).