N-[(2S)-3-methylbutan-2-yl]-3-[methyl(methylsulfonyl)amino]benzamide

C14H22N2O3S — CID 100571722

IUPACN-[(2S)-3-methylbutan-2-yl]-3-[methyl(methylsulfonyl)amino]benzamide
SMILESCC(C)[C@H](C)NC(=O)c1cccc(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C14H22N2O3S/c1-10(2)11(3)15-14(17)12-7-6-8-13(9-12)16(4)20(5,18)19/h6-11H,1-5H3,(H,15,17)/t11-/m0/s1
InChIKeyPWUMQCHZVQAHNG-NSHDSACASA-N
MW298.41 g/mol
LogP1.86
Rot. Bonds5

About N-[(2S)-3-methylbutan-2-yl]-3-[methyl(methylsulfonyl)amino]benzamide

N-[(2S)-3-methylbutan-2-yl]-3-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 100571722) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[(2S)-3-methylbutan-2-yl]-3-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-[(2S)-3-methylbutan-2-yl]-3-[methyl(methylsulfonyl)amino]benzamide
PubChem CID100571722
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[(2S)-3-methylbutan-2-yl]-3-[methyl(methylsulfonyl)amino]benzamide
SMILESCC(C)[C@H](C)NC(=O)c1cccc(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C14H22N2O3S/c1-10(2)11(3)15-14(17)12-7-6-8-13(9-12)16(4)20(5,18)19/h6-11H,1-5H3,(H,15,17)/t11-/m0/s1
InChIKeyPWUMQCHZVQAHNG-NSHDSACASA-N
XLogP1.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[methyl(methylsulfonyl)amino]-N-[1-(4-methylphenoxy)propan-2-yl]benzamide
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3-(methanesulfonamido)-N-(3-methylbutan-2-yl)benzamide
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3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94665537
3-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)benzamide
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3-[methoxy(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
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3-N-[(2R)-3-methylbutan-2-yl]benzene-1,3-dicarboxamide
CID 30827773
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methylbutan-2-yl]-3-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-[(2S)-3-methylbutan-2-yl]-3-[methyl(methylsulfonyl)amino]benzamide (CID 100571722) is N-[(2S)-3-methylbutan-2-yl]-3-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-[(2S)-3-methylbutan-2-yl]-3-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-[(2S)-3-methylbutan-2-yl]-3-[methyl(methylsulfonyl)amino]benzamide is CC(C)[C@H](C)NC(=O)c1cccc(N(C)S(C)(=O)=O)c1.
What is the InChIKey of N-[(2S)-3-methylbutan-2-yl]-3-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is PWUMQCHZVQAHNG-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10(2)11(3)15-14(17)12-7-6-8-13(9-12)16(4)20(5,18)19/h6-11H,1-5H3,(H,15,17)/t11-/m0/s1.
What are the key properties of N-[(2S)-3-methylbutan-2-yl]-3-[methyl(methylsulfonyl)amino]benzamide?
N-[(2S)-3-methylbutan-2-yl]-3-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 298.41 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methylbutan-2-yl]-3-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 100571722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).