4-(methylsulfonylmethyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide

C15H19N3O3S — CID 38607203

IUPAC4-(methylsulfonylmethyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide
SMILESC[C@@H](Cn1cccn1)NC(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C15H19N3O3S/c1-12(10-18-9-3-8-16-18)17-15(19)14-6-4-13(5-7-14)11-22(2,20)21/h3-9,12H,10-11H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeyDQWSSEYGCRJOFB-LBPRGKRZSA-N
MW321.40 g/mol
LogP1.25
Rot. Bonds6

About 4-(methylsulfonylmethyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide

4-(methylsulfonylmethyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide (PubChem CID 38607203) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 4-(methylsulfonylmethyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide.

Molecular Properties

Compound Name4-(methylsulfonylmethyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide
PubChem CID38607203
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name4-(methylsulfonylmethyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide
SMILESC[C@@H](Cn1cccn1)NC(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C15H19N3O3S/c1-12(10-18-9-3-8-16-18)17-15(19)14-6-4-13(5-7-14)11-22(2,20)21/h3-9,12H,10-11H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeyDQWSSEYGCRJOFB-LBPRGKRZSA-N
XLogP1.25
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 43695373
3,5-dihydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103891981
4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 27648016
3-amino-4-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459817
3-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]butanoic acid
CID 119220723
N-(5-methylhexan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 46688121
5-bromo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide
CID 38608481
4-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 70728129
4-[(2-methoxyphenyl)sulfamoyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 43064966
3-ethoxy-4-methoxy-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide
CID 38607050
2-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459501
2-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 114325720

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfonylmethyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide?
The IUPAC name of 4-(methylsulfonylmethyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide (CID 38607203) is 4-(methylsulfonylmethyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide.
What is the SMILES notation for 4-(methylsulfonylmethyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide?
The canonical SMILES for 4-(methylsulfonylmethyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide is C[C@@H](Cn1cccn1)NC(=O)c1ccc(CS(C)(=O)=O)cc1.
What is the InChIKey of 4-(methylsulfonylmethyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide?
The InChIKey is DQWSSEYGCRJOFB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-12(10-18-9-3-8-16-18)17-15(19)14-6-4-13(5-7-14)11-22(2,20)21/h3-9,12H,10-11H2,1-2H3,(H,17,19)/t12-/m0/s1.
What are the key properties of 4-(methylsulfonylmethyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide?
4-(methylsulfonylmethyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide has a molecular weight of 321.40 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfonylmethyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide is sourced from PubChem (CID 38607203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).