N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-5-hydroxy-1-oxopentan-2-yl]-1-phenylpyrazole-4-carboxamide

C19H24N4O5S — CID 122488593

IUPACN-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-5-hydroxy-1-oxopentan-2-yl]-1-phenylpyrazole-4-carboxamide
SMILESO=C(N[C@@H](CCCO)C(=O)N1CCS(=O)(=O)CC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H24N4O5S/c24-10-4-7-17(19(26)22-8-11-29(27,28)12-9-22)21-18(25)15-13-20-23(14-15)16-5-2-1-3-6-16/h1-3,5-6,13-14,17,24H,4,7-12H2,(H,21,25)/t17-/m0/s1
InChIKeyZBZKZLGWNBTDRW-KRWDZBQOSA-N
MW420.49 g/mol
LogP0.00
Rot. Bonds7

About N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-5-hydroxy-1-oxopentan-2-yl]-1-phenylpyrazole-4-carboxamide

N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-5-hydroxy-1-oxopentan-2-yl]-1-phenylpyrazole-4-carboxamide (PubChem CID 122488593) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-5-hydroxy-1-oxopentan-2-yl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-5-hydroxy-1-oxopentan-2-yl]-1-phenylpyrazole-4-carboxamide
PubChem CID122488593
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC NameN-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-5-hydroxy-1-oxopentan-2-yl]-1-phenylpyrazole-4-carboxamide
SMILESO=C(N[C@@H](CCCO)C(=O)N1CCS(=O)(=O)CC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H24N4O5S/c24-10-4-7-17(19(26)22-8-11-29(27,28)12-9-22)21-18(25)15-13-20-23(14-15)16-5-2-1-3-6-16/h1-3,5-6,13-14,17,24H,4,7-12H2,(H,21,25)/t17-/m0/s1
InChIKeyZBZKZLGWNBTDRW-KRWDZBQOSA-N
XLogP0.00
TPSA121.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-5-hydroxy-1-oxopentan-2-yl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-5-hydroxy-1-oxopentan-2-yl]-1-phenylpyrazole-4-carboxamide (CID 122488593) is N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-5-hydroxy-1-oxopentan-2-yl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-5-hydroxy-1-oxopentan-2-yl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-5-hydroxy-1-oxopentan-2-yl]-1-phenylpyrazole-4-carboxamide is O=C(N[C@@H](CCCO)C(=O)N1CCS(=O)(=O)CC1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-5-hydroxy-1-oxopentan-2-yl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is ZBZKZLGWNBTDRW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N4O5S/c24-10-4-7-17(19(26)22-8-11-29(27,28)12-9-22)21-18(25)15-13-20-23(14-15)16-5-2-1-3-6-16/h1-3,5-6,13-14,17,24H,4,7-12H2,(H,21,25)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-5-hydroxy-1-oxopentan-2-yl]-1-phenylpyrazole-4-carboxamide?
N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-5-hydroxy-1-oxopentan-2-yl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 0.00, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-5-hydroxy-1-oxopentan-2-yl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 122488593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).