3-[methyl(methylsulfonyl)amino]-N-[1-(4-methylphenoxy)propan-2-yl]benzamide

C19H24N2O4S — CID 132656604

IUPAC3-[methyl(methylsulfonyl)amino]-N-[1-(4-methylphenoxy)propan-2-yl]benzamide
SMILESCc1ccc(OCC(C)NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)cc1
InChIInChI=1S/C19H24N2O4S/c1-14-8-10-18(11-9-14)25-13-15(2)20-19(22)16-6-5-7-17(12-16)21(3)26(4,23)24/h5-12,15H,13H2,1-4H3,(H,20,22)
InChIKeyUTQNRHCWSIRLTQ-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.59
Rot. Bonds7

About 3-[methyl(methylsulfonyl)amino]-N-[1-(4-methylphenoxy)propan-2-yl]benzamide

3-[methyl(methylsulfonyl)amino]-N-[1-(4-methylphenoxy)propan-2-yl]benzamide (PubChem CID 132656604) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-[methyl(methylsulfonyl)amino]-N-[1-(4-methylphenoxy)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-[methyl(methylsulfonyl)amino]-N-[1-(4-methylphenoxy)propan-2-yl]benzamide
PubChem CID132656604
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name3-[methyl(methylsulfonyl)amino]-N-[1-(4-methylphenoxy)propan-2-yl]benzamide
SMILESCc1ccc(OCC(C)NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)cc1
InChIInChI=1S/C19H24N2O4S/c1-14-8-10-18(11-9-14)25-13-15(2)20-19(22)16-6-5-7-17(12-16)21(3)26(4,23)24/h5-12,15H,13H2,1-4H3,(H,20,22)
InChIKeyUTQNRHCWSIRLTQ-UHFFFAOYSA-N
XLogP2.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(methylsulfonyl)amino]-N-[(2R)-pentan-2-yl]benzamide
CID 95119363
N-[1-(4-methoxyphenoxy)propan-2-yl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 132659634
N-[(2S)-3-methylbutan-2-yl]-3-[methyl(methylsulfonyl)amino]benzamide
CID 100571722
N-[1-(4-methylphenoxy)propan-2-yl]-3-nitrobenzamide
CID 132650571
N-butan-2-yl-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 132654284
N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-nitrobenzamide
CID 99994913
N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-phenylmethoxybenzamide
CID 97498534
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]butanamide
CID 125065149
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]butanamide
CID 125065148
3-(dimethylsulfamoyl)-N-[(2R)-1-phenoxypropan-2-yl]benzamide
CID 94625046
2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
CID 132663175
4-methoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide
CID 95179251

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(methylsulfonyl)amino]-N-[1-(4-methylphenoxy)propan-2-yl]benzamide?
The IUPAC name of 3-[methyl(methylsulfonyl)amino]-N-[1-(4-methylphenoxy)propan-2-yl]benzamide (CID 132656604) is 3-[methyl(methylsulfonyl)amino]-N-[1-(4-methylphenoxy)propan-2-yl]benzamide.
What is the SMILES notation for 3-[methyl(methylsulfonyl)amino]-N-[1-(4-methylphenoxy)propan-2-yl]benzamide?
The canonical SMILES for 3-[methyl(methylsulfonyl)amino]-N-[1-(4-methylphenoxy)propan-2-yl]benzamide is Cc1ccc(OCC(C)NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)cc1.
What is the InChIKey of 3-[methyl(methylsulfonyl)amino]-N-[1-(4-methylphenoxy)propan-2-yl]benzamide?
The InChIKey is UTQNRHCWSIRLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-14-8-10-18(11-9-14)25-13-15(2)20-19(22)16-6-5-7-17(12-16)21(3)26(4,23)24/h5-12,15H,13H2,1-4H3,(H,20,22).
What are the key properties of 3-[methyl(methylsulfonyl)amino]-N-[1-(4-methylphenoxy)propan-2-yl]benzamide?
3-[methyl(methylsulfonyl)amino]-N-[1-(4-methylphenoxy)propan-2-yl]benzamide has a molecular weight of 376.48 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(methylsulfonyl)amino]-N-[1-(4-methylphenoxy)propan-2-yl]benzamide is sourced from PubChem (CID 132656604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).