N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(phenoxymethyl)benzamide

C23H22N2O4S — CID 112824130

IUPACN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(phenoxymethyl)benzamide
SMILESO=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C23H22N2O4S/c26-23(19-12-10-18(11-13-19)17-29-22-8-2-1-3-9-22)24-20-6-4-7-21(16-20)25-14-5-15-30(25,27)28/h1-4,6-13,16H,5,14-15,17H2,(H,24,26)
InChIKeyZBBACLDFRPYQOK-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.06
Rot. Bonds6

About N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(phenoxymethyl)benzamide

N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(phenoxymethyl)benzamide (PubChem CID 112824130) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(phenoxymethyl)benzamide
PubChem CID112824130
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC NameN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(phenoxymethyl)benzamide
SMILESO=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C23H22N2O4S/c26-23(19-12-10-18(11-13-19)17-29-22-8-2-1-3-9-22)24-20-6-4-7-21(16-20)25-14-5-15-30(25,27)28/h1-4,6-13,16H,5,14-15,17H2,(H,24,26)
InChIKeyZBBACLDFRPYQOK-UHFFFAOYSA-N
XLogP4.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-butoxy-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 7483166
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 112826396
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 30697494
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4,5-triethoxybenzamide
CID 18564859
4-tert-butyl-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide
CID 112505496
3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078
3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-phenylbenzamide
CID 46475375
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
3-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzamide
CID 92734125
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 7638785
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 7638801
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(phenoxymethyl)benzamide?
The IUPAC name of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(phenoxymethyl)benzamide (CID 112824130) is N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(phenoxymethyl)benzamide is O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(phenoxymethyl)benzamide?
The InChIKey is ZBBACLDFRPYQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c26-23(19-12-10-18(11-13-19)17-29-22-8-2-1-3-9-22)24-20-6-4-7-21(16-20)25-14-5-15-30(25,27)28/h1-4,6-13,16H,5,14-15,17H2,(H,24,26).
What are the key properties of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(phenoxymethyl)benzamide?
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(phenoxymethyl)benzamide has a molecular weight of 422.51 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 112824130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).