2-chloro-N-[3-methyl-5-(oxolan-3-yl)phenyl]-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide

C21H23ClN2O3S — CID 146668859

IUPAC2-chloro-N-[3-methyl-5-(oxolan-3-yl)phenyl]-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide
SMILESCc1cc(NC(=O)c2cc(N3CCCS3=O)ccc2Cl)cc(C2CCOC2)c1
InChIInChI=1S/C21H23ClN2O3S/c1-14-9-16(15-5-7-27-13-15)11-17(10-14)23-21(25)19-12-18(3-4-20(19)22)24-6-2-8-28(24)26/h3-4,9-12,15H,2,5-8,13H2,1H3,(H,23,25)
InChIKeyLYPZVMGRQFAMQH-UHFFFAOYSA-N
MW418.95 g/mol
LogP4.28
Rot. Bonds4

About 2-chloro-N-[3-methyl-5-(oxolan-3-yl)phenyl]-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide

2-chloro-N-[3-methyl-5-(oxolan-3-yl)phenyl]-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 146668859) has the molecular formula C21H23ClN2O3S and a molecular weight of 418.95 g/mol. Its IUPAC name is 2-chloro-N-[3-methyl-5-(oxolan-3-yl)phenyl]-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-methyl-5-(oxolan-3-yl)phenyl]-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID146668859
Molecular FormulaC21H23ClN2O3S
Molecular Weight418.95 g/mol
Exact Mass418.11
IUPAC Name2-chloro-N-[3-methyl-5-(oxolan-3-yl)phenyl]-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide
SMILESCc1cc(NC(=O)c2cc(N3CCCS3=O)ccc2Cl)cc(C2CCOC2)c1
InChIInChI=1S/C21H23ClN2O3S/c1-14-9-16(15-5-7-27-13-15)11-17(10-14)23-21(25)19-12-18(3-4-20(19)22)24-6-2-8-28(24)26/h3-4,9-12,15H,2,5-8,13H2,1H3,(H,23,25)
InChIKeyLYPZVMGRQFAMQH-UHFFFAOYSA-N
XLogP4.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.95
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-chloro-5-(oxan-4-yl)phenyl]-3-fluoro-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide
CID 146668842
2-chloro-N-[3-chloro-5-(3,4-dihydro-2H-pyran-6-yl)phenyl]-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide
CID 146668465
2,3-dichloro-N-[3-chloro-5-[(3S)-oxolan-3-yl]phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146668423
2,3-dichloro-N-[3-chloro-5-(oxolan-3-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146667513
2-chloro-N-(3,5-dimethoxyphenyl)-3-methyl-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide
CID 146667565
2-chloro-N-[3-chloro-5-(2,2-dimethyloxan-4-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146667596
N-[2-chloro-5-[[2-chloro-4-(1-oxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide
CID 144621222
N-(3-benzamido-4-chlorophenyl)-2-fluoro-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide
CID 144621473
2-chloro-N-[3-cyano-5-(oxolan-3-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-fluorobenzamide
CID 146668405
2-chloro-N-(3-cyano-5-methylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146628355
2,5-dichloro-N-(3,5-dimethylphenyl)benzamide
CID 965625
N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide
CID 144621769

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-methyl-5-(oxolan-3-yl)phenyl]-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of 2-chloro-N-[3-methyl-5-(oxolan-3-yl)phenyl]-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide (CID 146668859) is 2-chloro-N-[3-methyl-5-(oxolan-3-yl)phenyl]-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[3-methyl-5-(oxolan-3-yl)phenyl]-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-[3-methyl-5-(oxolan-3-yl)phenyl]-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide is Cc1cc(NC(=O)c2cc(N3CCCS3=O)ccc2Cl)cc(C2CCOC2)c1.
What is the InChIKey of 2-chloro-N-[3-methyl-5-(oxolan-3-yl)phenyl]-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is LYPZVMGRQFAMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3S/c1-14-9-16(15-5-7-27-13-15)11-17(10-14)23-21(25)19-12-18(3-4-20(19)22)24-6-2-8-28(24)26/h3-4,9-12,15H,2,5-8,13H2,1H3,(H,23,25).
What are the key properties of 2-chloro-N-[3-methyl-5-(oxolan-3-yl)phenyl]-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide?
2-chloro-N-[3-methyl-5-(oxolan-3-yl)phenyl]-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 418.95 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-methyl-5-(oxolan-3-yl)phenyl]-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 146668859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).