N-[(4-methoxyphenyl)methyl]-4-methyl-2-[2-(4-methylphenyl)sulfonylethyl]-1,1,3-trioxo-1lambda6,2,4-benzothiadiazine-7-carboxamide

C26H27N3O7S2 — CID 10144202

IUPACN-[(4-methoxyphenyl)methyl]-4-methyl-2-[2-(4-methylphenyl)sulfonylethyl]-1,1,3-trioxo-1lambda6,2,4-benzothiadiazine-7-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(CCS(=O)(=O)c2ccc(C)cc2)C(=O)N3C)cc1
InChIInChI=1S/C26H27N3O7S2/c1-18-4-11-22(12-5-18)37(32,33)15-14-29-26(31)28(2)23-13-8-20(16-24(23)38(29,34)35)25(30)27-17-19-6-9-21(36-3)10-7-19/h4-13,16H,14-15,17H2,1-3H3,(H,27,30)
InChIKeyJYNTWOASVMXBMB-UHFFFAOYSA-N
MW557.65 g/mol
LogP2.97
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-4-methyl-2-[2-(4-methylphenyl)sulfonylethyl]-1,1,3-trioxo-1lambda6,2,4-benzothiadiazine-7-carboxamide

N-[(4-methoxyphenyl)methyl]-4-methyl-2-[2-(4-methylphenyl)sulfonylethyl]-1,1,3-trioxo-1lambda6,2,4-benzothiadiazine-7-carboxamide (PubChem CID 10144202) has the molecular formula C26H27N3O7S2 and a molecular weight of 557.65 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-methyl-2-[2-(4-methylphenyl)sulfonylethyl]-1,1,3-trioxo-1lambda6,2,4-benzothiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-methyl-2-[2-(4-methylphenyl)sulfonylethyl]-1,1,3-trioxo-1lambda6,2,4-benzothiadiazine-7-carboxamide
PubChem CID10144202
Molecular FormulaC26H27N3O7S2
Molecular Weight557.65 g/mol
Exact Mass557.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-methyl-2-[2-(4-methylphenyl)sulfonylethyl]-1,1,3-trioxo-1lambda6,2,4-benzothiadiazine-7-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(CCS(=O)(=O)c2ccc(C)cc2)C(=O)N3C)cc1
InChIInChI=1S/C26H27N3O7S2/c1-18-4-11-22(12-5-18)37(32,33)15-14-29-26(31)28(2)23-13-8-20(16-24(23)38(29,34)35)25(30)27-17-19-6-9-21(36-3)10-7-19/h4-13,16H,14-15,17H2,1-3H3,(H,27,30)
InChIKeyJYNTWOASVMXBMB-UHFFFAOYSA-N
XLogP2.97
TPSA130.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.65
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 10185868
N-[(4-methoxyphenyl)methyl]-4-methyl-2-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,1,3-trioxo-1λ6,2,4-benzothiadiazine-7-carboxamide
CID 10282497
tert-butyl 4-[[7-[(3-methoxyphenyl)methylcarbamoyl]-4-methyl-1,1,3-trioxo-1lambda6,2,4-benzothiadiazin-2-yl]methyl]benzoate
CID 10209914
6-ethyl-N-[(4-methoxyphenyl)methyl]-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
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N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methylbenzamide
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N-[(4-methoxyphenyl)methyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062773
2-benzyl-N-(1,3-dihydro-2,1,3-benzothiadiazol-5-ylmethyl)-4-methyl-1,1,3-trioxo-1λ6,2,4-benzothiadiazine-7-carboxamide
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4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
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3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 835462
N-[(4-methoxyphenyl)methyl]-5,5-dioxo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide
CID 9078898
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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-methyl-2-[2-(4-methylphenyl)sulfonylethyl]-1,1,3-trioxo-1lambda6,2,4-benzothiadiazine-7-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-methyl-2-[2-(4-methylphenyl)sulfonylethyl]-1,1,3-trioxo-1lambda6,2,4-benzothiadiazine-7-carboxamide (CID 10144202) is N-[(4-methoxyphenyl)methyl]-4-methyl-2-[2-(4-methylphenyl)sulfonylethyl]-1,1,3-trioxo-1lambda6,2,4-benzothiadiazine-7-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-methyl-2-[2-(4-methylphenyl)sulfonylethyl]-1,1,3-trioxo-1lambda6,2,4-benzothiadiazine-7-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-methyl-2-[2-(4-methylphenyl)sulfonylethyl]-1,1,3-trioxo-1lambda6,2,4-benzothiadiazine-7-carboxamide is COc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(CCS(=O)(=O)c2ccc(C)cc2)C(=O)N3C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-methyl-2-[2-(4-methylphenyl)sulfonylethyl]-1,1,3-trioxo-1lambda6,2,4-benzothiadiazine-7-carboxamide?
The InChIKey is JYNTWOASVMXBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O7S2/c1-18-4-11-22(12-5-18)37(32,33)15-14-29-26(31)28(2)23-13-8-20(16-24(23)38(29,34)35)25(30)27-17-19-6-9-21(36-3)10-7-19/h4-13,16H,14-15,17H2,1-3H3,(H,27,30).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-methyl-2-[2-(4-methylphenyl)sulfonylethyl]-1,1,3-trioxo-1lambda6,2,4-benzothiadiazine-7-carboxamide?
N-[(4-methoxyphenyl)methyl]-4-methyl-2-[2-(4-methylphenyl)sulfonylethyl]-1,1,3-trioxo-1lambda6,2,4-benzothiadiazine-7-carboxamide has a molecular weight of 557.65 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-methyl-2-[2-(4-methylphenyl)sulfonylethyl]-1,1,3-trioxo-1lambda6,2,4-benzothiadiazine-7-carboxamide is sourced from PubChem (CID 10144202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).