4-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]-N-[(4-methoxyphenyl)methyl]benzamide

C22H21N3O4S — CID 92876128

IUPAC4-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc([C@@H]3Nc4ccccc4S(=O)(=O)N3)cc2)cc1
InChIInChI=1S/C22H21N3O4S/c1-29-18-12-6-15(7-13-18)14-23-22(26)17-10-8-16(9-11-17)21-24-19-4-2-3-5-20(19)30(27,28)25-21/h2-13,21,24-25H,14H2,1H3,(H,23,26)/t21-/m1/s1
InChIKeyQHFCYCSGRXBKCM-OAQYLSRUSA-N
MW423.49 g/mol
LogP3.03
Rot. Bonds5

About 4-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]-N-[(4-methoxyphenyl)methyl]benzamide

4-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 92876128) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is 4-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID92876128
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC Name4-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc([C@@H]3Nc4ccccc4S(=O)(=O)N3)cc2)cc1
InChIInChI=1S/C22H21N3O4S/c1-29-18-12-6-15(7-13-18)14-23-22(26)17-10-8-16(9-11-17)21-24-19-4-2-3-5-20(19)30(27,28)25-21/h2-13,21,24-25H,14H2,1H3,(H,23,26)/t21-/m1/s1
InChIKeyQHFCYCSGRXBKCM-OAQYLSRUSA-N
XLogP3.03
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]-N-[(4-methoxyphenyl)methyl]benzamide with MolForge

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Related Compounds

N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
6-ethyl-N-[(4-methoxyphenyl)methyl]-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814614
(3R)-6-fluoro-N-[(4-methoxyphenyl)methyl]-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 95074180
4-(cyanomethyl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 82178795
N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 87005885
4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 3581074
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide
CID 8947686
4-N-[(4-methoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045580
N-benzyl-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide
CID 24793478
4-(acetamidomethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 17454314
4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide
CID 23988040

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]-N-[(4-methoxyphenyl)methyl]benzamide (CID 92876128) is 4-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]-N-[(4-methoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2ccc([C@@H]3Nc4ccccc4S(=O)(=O)N3)cc2)cc1.
What is the InChIKey of 4-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is QHFCYCSGRXBKCM-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-29-18-12-6-15(7-13-18)14-23-22(26)17-10-8-16(9-11-17)21-24-19-4-2-3-5-20(19)30(27,28)25-21/h2-13,21,24-25H,14H2,1H3,(H,23,26)/t21-/m1/s1.
What are the key properties of 4-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]-N-[(4-methoxyphenyl)methyl]benzamide?
4-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 423.49 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 92876128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).