(2S)-2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanamide

C13H16N4O3S — CID 94809728

IUPAC(2S)-2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanamide
SMILESCn1cc(S(=O)(=O)N[C@](C)(C(N)=O)c2ccccc2)cn1
InChIInChI=1S/C13H16N4O3S/c1-13(12(14)18,10-6-4-3-5-7-10)16-21(19,20)11-8-15-17(2)9-11/h3-9,16H,1-2H3,(H2,14,18)/t13-/m0/s1
InChIKeyWFGMINUNNKHMER-ZDUSSCGKSA-N
MW308.36 g/mol
LogP0.10
Rot. Bonds5

About (2S)-2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanamide

(2S)-2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanamide (PubChem CID 94809728) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is (2S)-2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanamide
PubChem CID94809728
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name(2S)-2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanamide
SMILESCn1cc(S(=O)(=O)N[C@](C)(C(N)=O)c2ccccc2)cn1
InChIInChI=1S/C13H16N4O3S/c1-13(12(14)18,10-6-4-3-5-7-10)16-21(19,20)11-8-15-17(2)9-11/h3-9,16H,1-2H3,(H2,14,18)/t13-/m0/s1
InChIKeyWFGMINUNNKHMER-ZDUSSCGKSA-N
XLogP0.10
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanamide?
The IUPAC name of (2S)-2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanamide (CID 94809728) is (2S)-2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanamide.
What is the SMILES notation for (2S)-2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanamide?
The canonical SMILES for (2S)-2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanamide is Cn1cc(S(=O)(=O)N[C@](C)(C(N)=O)c2ccccc2)cn1.
What is the InChIKey of (2S)-2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanamide?
The InChIKey is WFGMINUNNKHMER-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-13(12(14)18,10-6-4-3-5-7-10)16-21(19,20)11-8-15-17(2)9-11/h3-9,16H,1-2H3,(H2,14,18)/t13-/m0/s1.
What are the key properties of (2S)-2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanamide?
(2S)-2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanamide has a molecular weight of 308.36 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanamide is sourced from PubChem (CID 94809728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).