4-chloro-N-[[(2R)-oxolan-2-yl]methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C15H17ClN2O5S — CID 42347574

IUPAC4-chloro-N-[[(2R)-oxolan-2-yl]methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(NC[C@H]1CCCO1)c1ccc(Cl)c(N2C(=O)CCS2(=O)=O)c1
InChIInChI=1S/C15H17ClN2O5S/c16-12-4-3-10(15(20)17-9-11-2-1-6-23-11)8-13(12)18-14(19)5-7-24(18,21)22/h3-4,8,11H,1-2,5-7,9H2,(H,17,20)/t11-/m1/s1
InChIKeyFKRHYSPTMVMWMZ-LLVKDONJSA-N
MW372.83 g/mol
LogP1.32
Rot. Bonds4

About 4-chloro-N-[[(2R)-oxolan-2-yl]methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

4-chloro-N-[[(2R)-oxolan-2-yl]methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 42347574) has the molecular formula C15H17ClN2O5S and a molecular weight of 372.83 g/mol. Its IUPAC name is 4-chloro-N-[[(2R)-oxolan-2-yl]methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[[(2R)-oxolan-2-yl]methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID42347574
Molecular FormulaC15H17ClN2O5S
Molecular Weight372.83 g/mol
Exact Mass372.05
IUPAC Name4-chloro-N-[[(2R)-oxolan-2-yl]methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(NC[C@H]1CCCO1)c1ccc(Cl)c(N2C(=O)CCS2(=O)=O)c1
InChIInChI=1S/C15H17ClN2O5S/c16-12-4-3-10(15(20)17-9-11-2-1-6-23-11)8-13(12)18-14(19)5-7-24(18,21)22/h3-4,8,11H,1-2,5-7,9H2,(H,17,20)/t11-/m1/s1
InChIKeyFKRHYSPTMVMWMZ-LLVKDONJSA-N
XLogP1.32
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[[(2R)-oxolan-2-yl]methyl]-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 42347700
4-chloro-3-(dimethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 46798182
3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7426624
3-chloro-4-morpholin-4-ylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 34551600
4-[[4-chloro-1-(3,4-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4050970
1-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 100674947
2-[2-chloro-5-(3-methylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 110309771
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
1-benzyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3H-indole-5-carboxamide
CID 95100034
N-(oxolan-2-ylmethyl)-1H-indole-5-carboxamide
CID 63717299
9,10-dioxo-N-[[(2S)-oxolan-2-yl]methyl]anthracene-2-carboxamide
CID 42559548
[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]boronic acid
CID 99773201

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[(2R)-oxolan-2-yl]methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of 4-chloro-N-[[(2R)-oxolan-2-yl]methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 42347574) is 4-chloro-N-[[(2R)-oxolan-2-yl]methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-[[(2R)-oxolan-2-yl]methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-[[(2R)-oxolan-2-yl]methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is O=C(NC[C@H]1CCCO1)c1ccc(Cl)c(N2C(=O)CCS2(=O)=O)c1.
What is the InChIKey of 4-chloro-N-[[(2R)-oxolan-2-yl]methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is FKRHYSPTMVMWMZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17ClN2O5S/c16-12-4-3-10(15(20)17-9-11-2-1-6-23-11)8-13(12)18-14(19)5-7-24(18,21)22/h3-4,8,11H,1-2,5-7,9H2,(H,17,20)/t11-/m1/s1.
What are the key properties of 4-chloro-N-[[(2R)-oxolan-2-yl]methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 372.83 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[(2R)-oxolan-2-yl]methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 42347574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).