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

C17H16ClN3O4S — CID 26833593

IUPAC2-chloro-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(pyridin-3-ylmethyl)benzamide
SMILESC[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NCc3cccnc3)c(Cl)c2)C1=O
InChIInChI=1S/C17H16ClN3O4S/c1-11-10-26(24,25)21(17(11)23)13-4-5-14(15(18)7-13)16(22)20-9-12-3-2-6-19-8-12/h2-8,11H,9-10H2,1H3,(H,20,22)/t11-/m0/s1
InChIKeyFZHVSWWHYOUFKS-NSHDSACASA-N
MW393.85 g/mol
LogP1.98
Rot. Bonds4

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

2-chloro-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 26833593) has the molecular formula C17H16ClN3O4S and a molecular weight of 393.85 g/mol. Its IUPAC name is 2-chloro-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID26833593
Molecular FormulaC17H16ClN3O4S
Molecular Weight393.85 g/mol
Exact Mass393.06
IUPAC Name2-chloro-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(pyridin-3-ylmethyl)benzamide
SMILESC[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NCc3cccnc3)c(Cl)c2)C1=O
InChIInChI=1S/C17H16ClN3O4S/c1-11-10-26(24,25)21(17(11)23)13-4-5-14(15(18)7-13)16(22)20-9-12-3-2-6-19-8-12/h2-8,11H,9-10H2,1H3,(H,20,22)/t11-/m0/s1
InChIKeyFZHVSWWHYOUFKS-NSHDSACASA-N
XLogP1.98
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(3-phenylpropyl)benzamide
CID 26833635
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26833614
2-chloro-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(4-phenoxyphenyl)benzamide
CID 26833730
2-chloro-N-(2,3-dimethylphenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26833661
2-chloro-N-(3,4-dimethylphenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26833655
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 42228036
N-[(4-chlorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996629
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 4244473
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 7659014
3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide
CID 42347308

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-chloro-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(pyridin-3-ylmethyl)benzamide (CID 26833593) is 2-chloro-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(pyridin-3-ylmethyl)benzamide is C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NCc3cccnc3)c(Cl)c2)C1=O.
What is the InChIKey of 2-chloro-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is FZHVSWWHYOUFKS-NSHDSACASA-N. The full InChI is InChI=1S/C17H16ClN3O4S/c1-11-10-26(24,25)21(17(11)23)13-4-5-14(15(18)7-13)16(22)20-9-12-3-2-6-19-8-12/h2-8,11H,9-10H2,1H3,(H,20,22)/t11-/m0/s1.
What are the key properties of 2-chloro-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(pyridin-3-ylmethyl)benzamide?
2-chloro-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 393.85 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 26833593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).