N-[(4-methoxyphenyl)methyl]-4-methyl-2-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,1,3-trioxo-1λ6,2,4-benzothiadiazine-7-carboxamide

C28H30N4O8S2 — CID 10282497

IUPACN-[(4-methoxyphenyl)methyl]-4-methyl-2-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,1,3-trioxo-1λ6,2,4-benzothiadiazine-7-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(Cc2ccc(S(=O)(=O)N4CCOCC4)cc2)C(=O)N3C)cc1
InChIInChI=1S/C28H30N4O8S2/c1-30-25-12-7-22(27(33)29-18-20-3-8-23(39-2)9-4-20)17-26(25)42(37,38)32(28(30)34)19-21-5-10-24(11-6-21)41(35,36)31-13-15-40-16-14-31/h3-12,17H,13-16,18-19H2,1-2H3,(H,29,33)
InChIKeySKVSNLASBUVVQE-UHFFFAOYSA-N
MW614.70 g/mol
LogP2.41
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-4-methyl-2-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,1,3-trioxo-1λ6,2,4-benzothiadiazine-7-carboxamide

N-[(4-methoxyphenyl)methyl]-4-methyl-2-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,1,3-trioxo-1λ6,2,4-benzothiadiazine-7-carboxamide (PubChem CID 10282497) has the molecular formula C28H30N4O8S2 and a molecular weight of 614.70 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-methyl-2-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,1,3-trioxo-1λ6,2,4-benzothiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-methyl-2-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,1,3-trioxo-1λ6,2,4-benzothiadiazine-7-carboxamide
PubChem CID10282497
Molecular FormulaC28H30N4O8S2
Molecular Weight614.70 g/mol
Exact Mass614.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-methyl-2-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,1,3-trioxo-1λ6,2,4-benzothiadiazine-7-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(Cc2ccc(S(=O)(=O)N4CCOCC4)cc2)C(=O)N3C)cc1
InChIInChI=1S/C28H30N4O8S2/c1-30-25-12-7-22(27(33)29-18-20-3-8-23(39-2)9-4-20)17-26(25)42(37,38)32(28(30)34)19-21-5-10-24(11-6-21)41(35,36)31-13-15-40-16-14-31/h3-12,17H,13-16,18-19H2,1-2H3,(H,29,33)
InChIKeySKVSNLASBUVVQE-UHFFFAOYSA-N
XLogP2.41
TPSA142.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500614.70
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(4-methoxyphenyl)methyl]-4-methyl-2-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,1,3-trioxo-1λ6,2,4-benzothiadiazine-7-carboxamide with MolForge

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-methyl-2-[(4-nitrophenyl)methyl]-1,1,3-trioxo-1λ6,2,4-benzothiadiazine-7-carboxamide
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N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
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N-[(4-methoxyphenyl)methyl]-4-methyl-2-[2-(4-methylphenyl)sulfonylethyl]-1,1,3-trioxo-1lambda6,2,4-benzothiadiazine-7-carboxamide
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2,6-dichloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
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CID 27861838
N'-(4-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]oxamide
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CID 9406618
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CID 17271569
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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-methyl-2-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,1,3-trioxo-1λ6,2,4-benzothiadiazine-7-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-methyl-2-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,1,3-trioxo-1λ6,2,4-benzothiadiazine-7-carboxamide (CID 10282497) is N-[(4-methoxyphenyl)methyl]-4-methyl-2-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,1,3-trioxo-1λ6,2,4-benzothiadiazine-7-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-methyl-2-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,1,3-trioxo-1λ6,2,4-benzothiadiazine-7-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-methyl-2-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,1,3-trioxo-1λ6,2,4-benzothiadiazine-7-carboxamide is COc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(Cc2ccc(S(=O)(=O)N4CCOCC4)cc2)C(=O)N3C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-methyl-2-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,1,3-trioxo-1λ6,2,4-benzothiadiazine-7-carboxamide?
The InChIKey is SKVSNLASBUVVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O8S2/c1-30-25-12-7-22(27(33)29-18-20-3-8-23(39-2)9-4-20)17-26(25)42(37,38)32(28(30)34)19-21-5-10-24(11-6-21)41(35,36)31-13-15-40-16-14-31/h3-12,17H,13-16,18-19H2,1-2H3,(H,29,33).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-methyl-2-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,1,3-trioxo-1λ6,2,4-benzothiadiazine-7-carboxamide?
N-[(4-methoxyphenyl)methyl]-4-methyl-2-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,1,3-trioxo-1λ6,2,4-benzothiadiazine-7-carboxamide has a molecular weight of 614.70 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-methyl-2-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,1,3-trioxo-1λ6,2,4-benzothiadiazine-7-carboxamide is sourced from PubChem (CID 10282497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).