3-(dimethylamino)-N-[(2S)-2-methoxypropyl]sulfonylbenzamide

C13H20N2O4S — CID 124852981

IUPAC3-(dimethylamino)-N-[(2S)-2-methoxypropyl]sulfonylbenzamide
SMILESCO[C@@H](C)CS(=O)(=O)NC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C13H20N2O4S/c1-10(19-4)9-20(17,18)14-13(16)11-6-5-7-12(8-11)15(2)3/h5-8,10H,9H2,1-4H3,(H,14,16)/t10-/m0/s1
InChIKeyVKYGRSQXNJNRHG-JTQLQIEISA-N
MW300.38 g/mol
LogP0.85
Rot. Bonds6

About 3-(dimethylamino)-N-[(2S)-2-methoxypropyl]sulfonylbenzamide

3-(dimethylamino)-N-[(2S)-2-methoxypropyl]sulfonylbenzamide (PubChem CID 124852981) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(2S)-2-methoxypropyl]sulfonylbenzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(2S)-2-methoxypropyl]sulfonylbenzamide
PubChem CID124852981
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name3-(dimethylamino)-N-[(2S)-2-methoxypropyl]sulfonylbenzamide
SMILESCO[C@@H](C)CS(=O)(=O)NC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C13H20N2O4S/c1-10(19-4)9-20(17,18)14-13(16)11-6-5-7-12(8-11)15(2)3/h5-8,10H,9H2,1-4H3,(H,14,16)/t10-/m0/s1
InChIKeyVKYGRSQXNJNRHG-JTQLQIEISA-N
XLogP0.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-butan-2-yl-3-(dimethylamino)benzamide
CID 17310829
N-(2-chloropropyl)-3-(dimethylamino)benzamide
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3-(dimethylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 30604269
N-(2-cyanopropyl)-3-(dimethylamino)benzamide
CID 62652034
3-(dimethylamino)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787497
3-(dimethylamino)-N'-(2-ethylbutanoyl)benzohydrazide
CID 78779693
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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[(2S)-2-methoxypropyl]sulfonylbenzamide?
The IUPAC name of 3-(dimethylamino)-N-[(2S)-2-methoxypropyl]sulfonylbenzamide (CID 124852981) is 3-(dimethylamino)-N-[(2S)-2-methoxypropyl]sulfonylbenzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(2S)-2-methoxypropyl]sulfonylbenzamide?
The canonical SMILES for 3-(dimethylamino)-N-[(2S)-2-methoxypropyl]sulfonylbenzamide is CO[C@@H](C)CS(=O)(=O)NC(=O)c1cccc(N(C)C)c1.
What is the InChIKey of 3-(dimethylamino)-N-[(2S)-2-methoxypropyl]sulfonylbenzamide?
The InChIKey is VKYGRSQXNJNRHG-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-10(19-4)9-20(17,18)14-13(16)11-6-5-7-12(8-11)15(2)3/h5-8,10H,9H2,1-4H3,(H,14,16)/t10-/m0/s1.
What are the key properties of 3-(dimethylamino)-N-[(2S)-2-methoxypropyl]sulfonylbenzamide?
3-(dimethylamino)-N-[(2S)-2-methoxypropyl]sulfonylbenzamide has a molecular weight of 300.38 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[(2S)-2-methoxypropyl]sulfonylbenzamide is sourced from PubChem (CID 124852981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).