N-butan-2-yl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C16H22N2O4S — CID 21007441

IUPACN-butan-2-yl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCCC(C)NC(=O)c1cccc(N2C(=O)C(C)(C)CS2(=O)=O)c1
InChIInChI=1S/C16H22N2O4S/c1-5-11(2)17-14(19)12-7-6-8-13(9-12)18-15(20)16(3,4)10-23(18,21)22/h6-9,11H,5,10H2,1-4H3,(H,17,19)
InChIKeyCIZSHLXIDVVCBJ-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.92
Rot. Bonds4

About N-butan-2-yl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

N-butan-2-yl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 21007441) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-butan-2-yl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID21007441
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC NameN-butan-2-yl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCCC(C)NC(=O)c1cccc(N2C(=O)C(C)(C)CS2(=O)=O)c1
InChIInChI=1S/C16H22N2O4S/c1-5-11(2)17-14(19)12-7-6-8-13(9-12)18-15(20)16(3,4)10-23(18,21)22/h6-9,11H,5,10H2,1-4H3,(H,17,19)
InChIKeyCIZSHLXIDVVCBJ-UHFFFAOYSA-N
XLogP1.92
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3-methylbutyl)benzamide
CID 21007459
3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-pentylbenzamide
CID 21007460
3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 20997281
N-(2,6-dimethylphenyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997277
N-(4-bromophenyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997302
3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3-fluorophenyl)benzamide
CID 20997331
N-(2,4-dichlorophenyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007485
N-(2-bromo-4-methylphenyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007467
N-(1,3-benzodioxol-5-ylmethyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997225
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007479
4-[3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperazine-1-carbaldehyde
CID 21007449
4,4-dimethyl-2-(3-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one
CID 82088217

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-butan-2-yl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 21007441) is N-butan-2-yl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-butan-2-yl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-butan-2-yl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is CCC(C)NC(=O)c1cccc(N2C(=O)C(C)(C)CS2(=O)=O)c1.
What is the InChIKey of N-butan-2-yl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is CIZSHLXIDVVCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-5-11(2)17-14(19)12-7-6-8-13(9-12)18-15(20)16(3,4)10-23(18,21)22/h6-9,11H,5,10H2,1-4H3,(H,17,19).
What are the key properties of N-butan-2-yl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
N-butan-2-yl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 338.43 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 21007441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).