N-(5-bromo-2-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C17H17BrN2O4S — CID 55905131

IUPACN-(5-bromo-2-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCOc1ccc(Br)cc1NC(=O)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C17H17BrN2O4S/c1-24-16-8-5-13(18)11-15(16)19-17(21)12-3-6-14(7-4-12)20-9-2-10-25(20,22)23/h3-8,11H,2,9-10H2,1H3,(H,19,21)
InChIKeyOQGYXLXULONMDP-UHFFFAOYSA-N
MW425.30 g/mol
LogP3.25
Rot. Bonds4

About N-(5-bromo-2-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

N-(5-bromo-2-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 55905131) has the molecular formula C17H17BrN2O4S and a molecular weight of 425.30 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID55905131
Molecular FormulaC17H17BrN2O4S
Molecular Weight425.30 g/mol
Exact Mass424.01
IUPAC NameN-(5-bromo-2-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCOc1ccc(Br)cc1NC(=O)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C17H17BrN2O4S/c1-24-16-8-5-13(18)11-15(16)19-17(21)12-3-6-14(7-4-12)20-9-2-10-25(20,22)23/h3-8,11H,2,9-10H2,1H3,(H,19,21)
InChIKeyOQGYXLXULONMDP-UHFFFAOYSA-N
XLogP3.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-4-nitrobenzamide
CID 7483265
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide
CID 7483289
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3,4-dimethylbenzamide
CID 7483263
N-(3,4-dimethoxyphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685697
N-(2-butoxy-5-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55675382
5-chloro-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methoxybenzamide
CID 7483243
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]naphthalene-2-carboxamide
CID 7482934
N-[(3,4-dimethoxyphenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 9404185
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-3-methoxy-4-methylbenzamide
CID 55815169
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-hydroxy-4-methylphenyl)benzamide
CID 18109023
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]benzamide
CID 55454072
N-(5-acetamido-2-methoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7499116

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 55905131) is N-(5-bromo-2-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is COc1ccc(Br)cc1NC(=O)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is OQGYXLXULONMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O4S/c1-24-16-8-5-13(18)11-15(16)19-17(21)12-3-6-14(7-4-12)20-9-2-10-25(20,22)23/h3-8,11H,2,9-10H2,1H3,(H,19,21).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
N-(5-bromo-2-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 425.30 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 55905131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).