4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide

C18H17N3O4S — CID 9490505

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
SMILESCc1nc2cc(NC(=O)c3ccc(N4CCCS4(=O)=O)cc3)ccc2o1
InChIInChI=1S/C18H17N3O4S/c1-12-19-16-11-14(5-8-17(16)25-12)20-18(22)13-3-6-15(7-4-13)21-9-2-10-26(21,23)24/h3-8,11H,2,9-10H2,1H3,(H,20,22)
InChIKeyOETWEOLBXWCTFT-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.93
Rot. Bonds3

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 9490505) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
PubChem CID9490505
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
SMILESCc1nc2cc(NC(=O)c3ccc(N4CCCS4(=O)=O)cc3)ccc2o1
InChIInChI=1S/C18H17N3O4S/c1-12-19-16-11-14(5-8-17(16)25-12)20-18(22)13-3-6-15(7-4-13)21-9-2-10-26(21,23)24/h3-8,11H,2,9-10H2,1H3,(H,20,22)
InChIKeyOETWEOLBXWCTFT-UHFFFAOYSA-N
XLogP2.93
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2-benzoxazol-6-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 90130033
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide
CID 46979712
N-[4-chloro-3-(4-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 118462952
N-(3,4-dimethoxyphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685697
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide
CID 7424221
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
CID 55947681
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfamoyl)benzamide
CID 34303904
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 18132632
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 26698015
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pyrazol-1-ylphenyl)benzamide
CID 78866605

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide (CID 9490505) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide is Cc1nc2cc(NC(=O)c3ccc(N4CCCS4(=O)=O)cc3)ccc2o1.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is OETWEOLBXWCTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-12-19-16-11-14(5-8-17(16)25-12)20-18(22)13-3-6-15(7-4-13)21-9-2-10-26(21,23)24/h3-8,11H,2,9-10H2,1H3,(H,20,22).
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 371.42 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 9490505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).