N-(1,1-dioxo-4-phenyl-3-propan-2-yl-1λ6,2,4-benzothiadiazin-7-yl)-4-methoxybenzamide

C24H23N3O4S — CID 83285144

IUPACN-(1,1-dioxo-4-phenyl-3-propan-2-yl-1λ6,2,4-benzothiadiazin-7-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)S(=O)(=O)N=C(C(C)C)N3c2ccccc2)cc1
InChIInChI=1S/C24H23N3O4S/c1-16(2)23-26-32(29,30)22-15-18(25-24(28)17-9-12-20(31-3)13-10-17)11-14-21(22)27(23)19-7-5-4-6-8-19/h4-16H,1-3H3,(H,25,28)
InChIKeyKVVDSYJTVKMQJG-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.84
Rot. Bonds5

About N-(1,1-dioxo-4-phenyl-3-propan-2-yl-1λ6,2,4-benzothiadiazin-7-yl)-4-methoxybenzamide

N-(1,1-dioxo-4-phenyl-3-propan-2-yl-1λ6,2,4-benzothiadiazin-7-yl)-4-methoxybenzamide (PubChem CID 83285144) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-(1,1-dioxo-4-phenyl-3-propan-2-yl-1λ6,2,4-benzothiadiazin-7-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1,1-dioxo-4-phenyl-3-propan-2-yl-1λ6,2,4-benzothiadiazin-7-yl)-4-methoxybenzamide
PubChem CID83285144
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC NameN-(1,1-dioxo-4-phenyl-3-propan-2-yl-1λ6,2,4-benzothiadiazin-7-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)S(=O)(=O)N=C(C(C)C)N3c2ccccc2)cc1
InChIInChI=1S/C24H23N3O4S/c1-16(2)23-26-32(29,30)22-15-18(25-24(28)17-9-12-20(31-3)13-10-17)11-14-21(22)27(23)19-7-5-4-6-8-19/h4-16H,1-3H3,(H,25,28)
InChIKeyKVVDSYJTVKMQJG-UHFFFAOYSA-N
XLogP4.84
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-4-phenyl-3-propan-2-yl-1λ6,2,4-benzothiadiazin-7-yl)-4-methoxybenzamide?
The IUPAC name of N-(1,1-dioxo-4-phenyl-3-propan-2-yl-1λ6,2,4-benzothiadiazin-7-yl)-4-methoxybenzamide (CID 83285144) is N-(1,1-dioxo-4-phenyl-3-propan-2-yl-1λ6,2,4-benzothiadiazin-7-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(1,1-dioxo-4-phenyl-3-propan-2-yl-1λ6,2,4-benzothiadiazin-7-yl)-4-methoxybenzamide?
The canonical SMILES for N-(1,1-dioxo-4-phenyl-3-propan-2-yl-1λ6,2,4-benzothiadiazin-7-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc3c(c2)S(=O)(=O)N=C(C(C)C)N3c2ccccc2)cc1.
What is the InChIKey of N-(1,1-dioxo-4-phenyl-3-propan-2-yl-1λ6,2,4-benzothiadiazin-7-yl)-4-methoxybenzamide?
The InChIKey is KVVDSYJTVKMQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-16(2)23-26-32(29,30)22-15-18(25-24(28)17-9-12-20(31-3)13-10-17)11-14-21(22)27(23)19-7-5-4-6-8-19/h4-16H,1-3H3,(H,25,28).
What are the key properties of N-(1,1-dioxo-4-phenyl-3-propan-2-yl-1λ6,2,4-benzothiadiazin-7-yl)-4-methoxybenzamide?
N-(1,1-dioxo-4-phenyl-3-propan-2-yl-1λ6,2,4-benzothiadiazin-7-yl)-4-methoxybenzamide has a molecular weight of 449.53 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-4-phenyl-3-propan-2-yl-1λ6,2,4-benzothiadiazin-7-yl)-4-methoxybenzamide is sourced from PubChem (CID 83285144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).