N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-2-(2-methoxyphenyl)acetamide

C17H19N3O4S — CID 121018604

IUPACN-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C
InChIInChI=1S/C17H19N3O4S/c1-19-14-9-8-13(11-15(14)20(2)25(19,22)23)18-17(21)10-12-6-4-5-7-16(12)24-3/h4-9,11H,10H2,1-3H3,(H,18,21)
InChIKeyMLOJFAKCIXZKTM-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.01
Rot. Bonds4

About N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-2-(2-methoxyphenyl)acetamide

N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-2-(2-methoxyphenyl)acetamide (PubChem CID 121018604) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-2-(2-methoxyphenyl)acetamide
PubChem CID121018604
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C
InChIInChI=1S/C17H19N3O4S/c1-19-14-9-8-13(11-15(14)20(2)25(19,22)23)18-17(21)10-12-6-4-5-7-16(12)24-3/h4-9,11H,10H2,1-3H3,(H,18,21)
InChIKeyMLOJFAKCIXZKTM-UHFFFAOYSA-N
XLogP2.01
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide
CID 110729357
N-(4-methoxy-3-methylphenyl)-2-(2-methoxyphenyl)acetamide
CID 110776428
2-(2-methoxyphenyl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetamide
CID 110729427
N-(3-hydroxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 43082666
N-(4-bromophenyl)-2-(2-methoxyphenyl)acetamide
CID 2263112
N-(3-acetylphenyl)-2-(2-methoxyphenyl)acetamide
CID 2711452
N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(2-methoxyphenyl)acetamide
CID 110734555
N-(1H-indazol-6-yl)-2-(2-methoxyphenyl)acetamide
CID 36559497
2-(2-methoxyphenyl)-N-(2-methyl-4-pyridinyl)acetamide
CID 110756856
N-(9H-fluoren-3-yl)-2-(2-methoxyphenyl)acetamide
CID 8699315
2-cyano-N-[4-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]acetamide
CID 108922586
5-[[2-(2-methoxyphenyl)acetyl]amino]pyridine-3-carboxylic acid
CID 63153455

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-2-(2-methoxyphenyl)acetamide (CID 121018604) is N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C.
What is the InChIKey of N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-2-(2-methoxyphenyl)acetamide?
The InChIKey is MLOJFAKCIXZKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-19-14-9-8-13(11-15(14)20(2)25(19,22)23)18-17(21)10-12-6-4-5-7-16(12)24-3/h4-9,11H,10H2,1-3H3,(H,18,21).
What are the key properties of N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-2-(2-methoxyphenyl)acetamide?
N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-2-(2-methoxyphenyl)acetamide has a molecular weight of 361.42 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 121018604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).