3-[methyl(methylsulfonyl)amino]-N-[(2R)-pentan-2-yl]benzamide

C14H22N2O3S — CID 95119363

IUPAC3-[methyl(methylsulfonyl)amino]-N-[(2R)-pentan-2-yl]benzamide
SMILESCCC[C@@H](C)NC(=O)c1cccc(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C14H22N2O3S/c1-5-7-11(2)15-14(17)12-8-6-9-13(10-12)16(3)20(4,18)19/h6,8-11H,5,7H2,1-4H3,(H,15,17)/t11-/m1/s1
InChIKeyTVKDXNLCQHZOJV-LLVKDONJSA-N
MW298.41 g/mol
LogP2.00
Rot. Bonds6

About 3-[methyl(methylsulfonyl)amino]-N-[(2R)-pentan-2-yl]benzamide

3-[methyl(methylsulfonyl)amino]-N-[(2R)-pentan-2-yl]benzamide (PubChem CID 95119363) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-[methyl(methylsulfonyl)amino]-N-[(2R)-pentan-2-yl]benzamide.

Molecular Properties

Compound Name3-[methyl(methylsulfonyl)amino]-N-[(2R)-pentan-2-yl]benzamide
PubChem CID95119363
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-[methyl(methylsulfonyl)amino]-N-[(2R)-pentan-2-yl]benzamide
SMILESCCC[C@@H](C)NC(=O)c1cccc(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C14H22N2O3S/c1-5-7-11(2)15-14(17)12-8-6-9-13(10-12)16(3)20(4,18)19/h6,8-11H,5,7H2,1-4H3,(H,15,17)/t11-/m1/s1
InChIKeyTVKDXNLCQHZOJV-LLVKDONJSA-N
XLogP2.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzenesulfonyl(methyl)amino]-N-pentan-2-ylbenzamide
CID 132654285
N-[(2S)-3-methylbutan-2-yl]-3-[methyl(methylsulfonyl)amino]benzamide
CID 100571722
N-[(1R)-1-(4-ethylphenyl)ethyl]-3-[methyl(methylsulfonyl)amino]benzamide
CID 100758583
3-[methyl(methylsulfonyl)amino]-N-[1-(4-methylphenoxy)propan-2-yl]benzamide
CID 132656604
N-[(2R)-butan-2-yl]-3-(dimethylamino)benzamide
CID 25345776
N-butan-2-yl-3-(dimethylamino)benzamide
CID 17310829
N-butan-2-yl-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 132654284
4-[ethylsulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide
CID 27211679
3-iodo-N-pentan-2-ylbenzamide
CID 2886291
N-benzhydryl-3-[ethylsulfonyl(methyl)amino]benzamide
CID 100786033
3-(chloromethyl)-N-pentan-2-ylbenzamide
CID 43156329
4-[benzenesulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide
CID 1296697

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(methylsulfonyl)amino]-N-[(2R)-pentan-2-yl]benzamide?
The IUPAC name of 3-[methyl(methylsulfonyl)amino]-N-[(2R)-pentan-2-yl]benzamide (CID 95119363) is 3-[methyl(methylsulfonyl)amino]-N-[(2R)-pentan-2-yl]benzamide.
What is the SMILES notation for 3-[methyl(methylsulfonyl)amino]-N-[(2R)-pentan-2-yl]benzamide?
The canonical SMILES for 3-[methyl(methylsulfonyl)amino]-N-[(2R)-pentan-2-yl]benzamide is CCC[C@@H](C)NC(=O)c1cccc(N(C)S(C)(=O)=O)c1.
What is the InChIKey of 3-[methyl(methylsulfonyl)amino]-N-[(2R)-pentan-2-yl]benzamide?
The InChIKey is TVKDXNLCQHZOJV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-5-7-11(2)15-14(17)12-8-6-9-13(10-12)16(3)20(4,18)19/h6,8-11H,5,7H2,1-4H3,(H,15,17)/t11-/m1/s1.
What are the key properties of 3-[methyl(methylsulfonyl)amino]-N-[(2R)-pentan-2-yl]benzamide?
3-[methyl(methylsulfonyl)amino]-N-[(2R)-pentan-2-yl]benzamide has a molecular weight of 298.41 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(methylsulfonyl)amino]-N-[(2R)-pentan-2-yl]benzamide is sourced from PubChem (CID 95119363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).