2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)-N-[(2S)-1-(2-methylphenyl)propan-2-yl]acetamide

C19H21N3O3S — CID 99796787

IUPAC2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)-N-[(2S)-1-(2-methylphenyl)propan-2-yl]acetamide
SMILESCc1ccccc1C[C@H](C)NC(=O)CN1C=Nc2ccccc2S1(=O)=O
InChIInChI=1S/C19H21N3O3S/c1-14-7-3-4-8-16(14)11-15(2)21-19(23)12-22-13-20-17-9-5-6-10-18(17)26(22,24)25/h3-10,13,15H,11-12H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyZJLHSWDECPVZCO-HNNXBMFYSA-N
MW371.46 g/mol
LogP2.41
Rot. Bonds5

About 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)-N-[(2S)-1-(2-methylphenyl)propan-2-yl]acetamide

2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)-N-[(2S)-1-(2-methylphenyl)propan-2-yl]acetamide (PubChem CID 99796787) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)-N-[(2S)-1-(2-methylphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)-N-[(2S)-1-(2-methylphenyl)propan-2-yl]acetamide
PubChem CID99796787
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)-N-[(2S)-1-(2-methylphenyl)propan-2-yl]acetamide
SMILESCc1ccccc1C[C@H](C)NC(=O)CN1C=Nc2ccccc2S1(=O)=O
InChIInChI=1S/C19H21N3O3S/c1-14-7-3-4-8-16(14)11-15(2)21-19(23)12-22-13-20-17-9-5-6-10-18(17)26(22,24)25/h3-10,13,15H,11-12H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyZJLHSWDECPVZCO-HNNXBMFYSA-N
XLogP2.41
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)-N-[(2S)-1-(2-methylphenyl)propan-2-yl]acetamide?
The IUPAC name of 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)-N-[(2S)-1-(2-methylphenyl)propan-2-yl]acetamide (CID 99796787) is 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)-N-[(2S)-1-(2-methylphenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)-N-[(2S)-1-(2-methylphenyl)propan-2-yl]acetamide?
The canonical SMILES for 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)-N-[(2S)-1-(2-methylphenyl)propan-2-yl]acetamide is Cc1ccccc1C[C@H](C)NC(=O)CN1C=Nc2ccccc2S1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)-N-[(2S)-1-(2-methylphenyl)propan-2-yl]acetamide?
The InChIKey is ZJLHSWDECPVZCO-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-14-7-3-4-8-16(14)11-15(2)21-19(23)12-22-13-20-17-9-5-6-10-18(17)26(22,24)25/h3-10,13,15H,11-12H2,1-2H3,(H,21,23)/t15-/m0/s1.
What are the key properties of 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)-N-[(2S)-1-(2-methylphenyl)propan-2-yl]acetamide?
2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)-N-[(2S)-1-(2-methylphenyl)propan-2-yl]acetamide has a molecular weight of 371.46 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)-N-[(2S)-1-(2-methylphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 99796787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).