4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]benzamide

C22H26N2O4S — CID 55658448

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C22H26N2O4S/c25-21(18-7-9-20(10-8-18)24-13-4-16-29(24,26)27)23-17-22(11-14-28-15-12-22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,23,25)
InChIKeyJLACISINMQSXFV-UHFFFAOYSA-N
MW414.53 g/mol
LogP2.70
Rot. Bonds5

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]benzamide

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]benzamide (PubChem CID 55658448) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]benzamide
PubChem CID55658448
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C22H26N2O4S/c25-21(18-7-9-20(10-8-18)24-13-4-16-29(24,26)27)23-17-22(11-14-28-15-12-22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,23,25)
InChIKeyJLACISINMQSXFV-UHFFFAOYSA-N
XLogP2.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,1-dioxothiazinan-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide
CID 110310247
4-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100542760
4-(1,1-dioxothiazinan-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 110310139
N-[[(4S)-4-phenyloxepan-4-yl]methyl]-4-(trifluoromethyl)benzamide
CID 95100724
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylbenzamide
CID 51246187
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
3,4-difluoro-N-[[(4R)-4-phenyloxepan-4-yl]methyl]benzamide
CID 95100723
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
3-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100514729
1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 119293535
4-nitro-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 16601996

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]benzamide (CID 55658448) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]benzamide.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]benzamide is O=C(NCC1(c2ccccc2)CCOCC1)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The InChIKey is JLACISINMQSXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c25-21(18-7-9-20(10-8-18)24-13-4-16-29(24,26)27)23-17-22(11-14-28-15-12-22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,23,25).
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]benzamide?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]benzamide has a molecular weight of 414.53 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]benzamide is sourced from PubChem (CID 55658448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).