N-[3-(4-methoxyphenyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]acetamide

C19H21N3O4S — CID 71958942

IUPACN-[3-(4-methoxyphenyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]acetamide
SMILESCCCN1C(c2ccc(OC)cc2)=NS(=O)(=O)c2cc(NC(C)=O)ccc21
InChIInChI=1S/C19H21N3O4S/c1-4-11-22-17-10-7-15(20-13(2)23)12-18(17)27(24,25)21-19(22)14-5-8-16(26-3)9-6-14/h5-10,12H,4,11H2,1-3H3,(H,20,23)
InChIKeyCGRPRHJKHALXII-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.02
Rot. Bonds5

About N-[3-(4-methoxyphenyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]acetamide

N-[3-(4-methoxyphenyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]acetamide (PubChem CID 71958942) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]acetamide
PubChem CID71958942
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-[3-(4-methoxyphenyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]acetamide
SMILESCCCN1C(c2ccc(OC)cc2)=NS(=O)(=O)c2cc(NC(C)=O)ccc21
InChIInChI=1S/C19H21N3O4S/c1-4-11-22-17-10-7-15(20-13(2)23)12-18(17)27(24,25)21-19(22)14-5-8-16(26-3)9-6-14/h5-10,12H,4,11H2,1-3H3,(H,20,23)
InChIKeyCGRPRHJKHALXII-UHFFFAOYSA-N
XLogP3.02
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(4-methoxyphenyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]acetamide with MolForge

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Related Compounds

4-methoxy-N-[3-(4-methoxyphenyl)-4-(2-methylpropyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-yl]benzamide
CID 83280175
N-[3-ethyl-1,1-dioxo-4-(oxolan-2-ylmethyl)-1λ6,2,4-benzothiadiazin-7-yl]acetamide
CID 83279439
4-hydroxy-3-(4-methoxyphenyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 134848259
N-(1,1-dioxo-4-phenyl-3-propan-2-yl-1λ6,2,4-benzothiadiazin-7-yl)-4-methoxybenzamide
CID 83285144
N-(4-methoxyphenyl)-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159829
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1146260
1-(4-methoxyphenyl)-3-(5-methyl-2-propylpyrazol-3-yl)urea
CID 39853401
N-(5-acetamido-2-methoxyphenyl)-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885171
N-(4-methoxyphenyl)acetamide;sulfuryl dichloride
CID 88785543
N-[3-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide
CID 155548764
N-(4-acetamidophenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7813065
N,5-bis(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 17253567

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]acetamide?
The IUPAC name of N-[3-(4-methoxyphenyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]acetamide (CID 71958942) is N-[3-(4-methoxyphenyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]acetamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]acetamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]acetamide is CCCN1C(c2ccc(OC)cc2)=NS(=O)(=O)c2cc(NC(C)=O)ccc21.
What is the InChIKey of N-[3-(4-methoxyphenyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]acetamide?
The InChIKey is CGRPRHJKHALXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-4-11-22-17-10-7-15(20-13(2)23)12-18(17)27(24,25)21-19(22)14-5-8-16(26-3)9-6-14/h5-10,12H,4,11H2,1-3H3,(H,20,23).
What are the key properties of N-[3-(4-methoxyphenyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]acetamide?
N-[3-(4-methoxyphenyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]acetamide has a molecular weight of 387.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)-1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-7-yl]acetamide is sourced from PubChem (CID 71958942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).